[ CAS No. 5773-80-8 ] {[proInfo.proName]}

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2D 3D

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Quality Control of [ 5773-80-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 5773-80-8 ]

SDS Specification

Alternatived Products of [ 5773-80-8 ]

Product Details of [ 5773-80-8 ]

CAS No. :	5773-80-8	MDL No. :	MFCD01075720
Formula :	C₁₁H₇BrO₂	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	NPMCAVBMOTZUPD-UHFFFAOYSA-N
M.W :	251.08	Pubchem ID :	4549852
Synonyms :

Calculated chemistry of [ 5773-80-8 ] Expand+

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	58.61
TPSA :	37.3 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.01 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.01
Log Po/w (XLOGP3) :	3.97
Log Po/w (WLOGP) :	3.3
Log Po/w (MLOGP) :	3.32
Log Po/w (SILICOS-IT) :	3.0
Consensus Log Po/w :	3.12

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-4.36
Solubility :	0.011 mg/ml ; 0.0000436 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.45
Solubility :	0.00882 mg/ml ; 0.0000351 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-4.3
Solubility :	0.0125 mg/ml ; 0.0000497 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.07

Safety of [ 5773-80-8 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 5773-80-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 5773-80-8 ]
Downstream synthetic route of [ 5773-80-8 ]

[ 5773-80-8 ] Synthesis Path-Upstream 1~1

1
[ 5773-80-8 ]
[ 5042-97-7 ]

Yield	Reaction Conditions	Operation in experiment
93%	With copper(l) iodide; copper(l) chloride In N,N-dimethyl-formamide for 4 h; Inert atmosphere; Reflux	Example 32 Synthesis of Compound 32 6-chloro-2-naphthoic acid A suspension of 6-bromo-2-naphthoic acid (3.0 g, 11.47 mmol), CuCl (11.7 g, 114.64 mmol) and CuI (2.19 g, 11.50 mmol) in degassed DMF (45 mL) was heated to reflux under argon in dark for 4 hrs. After cooling to room temperature, the solution was decanted into H₂O (200 mL) and the resulting mixture was extracted with EtOAc (2500 mL). The combined organic layers were then washed with H₂O (4500 mL) followed by brine (1*500 mL), dried over MgSO₄, filtered and concentrated under reduced pressure to dryness. The residue was trituated with CH₃CN and the solid obtained was then re-crystallized from EtOAc to give the pure product 32 (2.2 g, 93percent) as an off-white solid. HPLC t_R 6.47 min.
93%	With copper(l) iodide; copper(l) chloride In N,N-dimethyl-formamide for 4 h; Inert atmosphere; Darkness; Reflux	Example 66 - Synthesis of Compound 68 6-chloro-2-naphthoic acid686-chloro-2 -naphthoic acidA suspension of 6-bromo-2-naphthoic acid (3.0 g, 11.47 mmol), CuCI (1 1.7 g, 114.64 mmol) and CuI (2.19 g, 1 1.50 mmol) in degassed DMF (45 ml.) was heated to reflux under argon in dark for 4 hrs. After cooling to room temperature, the solution was decanted into H₂O (200 ml.) and the resulting mixture was extracted with EtOAc (2 x 500 mL). The combined organic layers were then washed with H₂O (4 x 500 mL) followed by brine (1 x 500 mL), dried over MgSO₄, filtered and concentrated under reduced pressure to dryness. The residue was trituated with CH₃CN and the solid obtained was then re-crystallized from EtOAc to give the pure product 68 (2.2 g, 93percent) as a off-white solid. HPLC f_R 6.47 min.
93%	With copper(l) iodide; copper(l) chloride In N,N-dimethyl-formamide for 4 h; Reflux; Inert atmosphere; Darkness	A suspension of 6-bromo-2-naphthoic acid (3.0 g, 11.47 mmol), CuCI (1 1.7 g, 114.64 mmol) and CuI (2.19 g, 1 1.50 mmol) in degassed DMF (45 ml.) was heated to reflux under argon in dark for 4 hrs. After cooling to room temperature, the solution was decanted into H₂O (200 ml.) and the resulting mixture was extracted with EtOAc (2 x 500 ml_). The combined organic layers were then washed with H₂O (4 x 500 ml.) followed by brine (1 x 500 ml_), dried over MgSO₄, filtered and concentrated under reduced pressure to dryness. The residue was trituated with CH₃CN and the solid obtained was then re-crystallized from EtOAc to give the pure product 70 (2.2 g, 93percent) as a off-white solid. HPLC fe 6.47 min

93%	With copper(l) iodide; copper(l) chloride In N,N-dimethyl-formamide for 4 h; Inert atmosphere; Darkness; Reflux	A suspension of 6-bromo-2-naphthoic acid (3.0 g, 11.47 mmol), CuCl (11.7 g, 114.64 mmol) and CuI (2.19 g, 11.50 mmol) in degassed DMF (45 mL) was heated to reflux under argon in dark for 4 hrs. After cooling to room temperature, the solution was decanted into H₂O (200 mL) and the resulting mixture was extracted with EtOAc (2500 mL). The combined organic layers were then washed with H₂O (4500 mL) followed by brine (1*500 mL), dried over MgSO₄, filtered and concentrated under reduced pressure to dryness. The residue was trituated with CH₃CN and the solid obtained was then re-crystallized from EtOAc to give the pure product 68 (2.2 g, 93percent) as a off-white solid. HPLC t_R 6.47 min.
75%	With CuI In N,N-dimethyl-formamide	Step 1. To a solution of 6-bromo-2-naphthoic acid (4.4 g, 17.5 mmol) in 50 mL anhydrous DMF were added CuCl (8.7 g, 87.5 mmol) and CuI (0.2 g). The slurry was refluxed for 1 hour. At room temperature it was diluted with 300 mL EtOAc and stirred for 2 hours. It was filtered through celite. The filtrate was evaporated in vacuuo to afford 6-chloro-2-naphthoic acid (2.7 g, 75percent). ES-MS: (M+H)⁺207.

Reference： [1] Patent: US2009/221557, 2009, A1, . Location in patent: Page/Page column 120
[2] Patent: WO2010/96853, 2010, A1, . Location in patent: Page/Page column 104
[3] Patent: WO2010/96854, 2010, A1, . Location in patent: Page/Page column 119
[4] Patent: US2012/141392, 2012, A1, . Location in patent: Page/Page column 57
[5] Patent: US2002/91116, 2002, A1,
[6] Patent: US6632815, 2003, B2,
[7] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 23, p. 6463 - 6466
[8] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 5, p. 1229 - 1234
[9] Patent: WO2017/192304, 2017, A1, . Location in patent: Paragraph 0149

[ 5773-80-8 ] Synthesis Path-Downstream 1~2

1
[ 5773-80-8 ]
[ 7499-66-3 ]

Yield	Reaction Conditions	Operation in experiment
100%		Part B. Preparation of 6-bromonaphthalen-2 -amine.; [00748] A solution of the product Part A (5.07g, 20.19mmol) and triethylamine (4.22mL, 3.07g, 30.3mmol) in dry DMF (155mL) was treated with the diphenylphosphoroyl azide (6.55mL, 8.34g, 30.3mmol) followed by stirring at room temperature for 3h. The solution was then treated with water (2OmL) followed by warming at 1000C for Ih. The solution was cooled and the flask fitted with a short- path distillation head and the DMF removed by distillation under high vacuum. The solid residue was dissolved in EtOAc and washed with saturated sodium bicarbonate solution. Filtered through celite and the filtrate was washed with water (3x) and then with brine. Dried over Na2SC^, filtered and concentrated under vacuum to give the title compound as a beige solid (4.48g, 100 percent).
100%		[00490] Part B. Preparation of 6-bromonaphthalen-2-amine.; [00491] A solution of the product Part A (5.07g, 20.19mmol) and triethylamine (4.22mL, 3.07g, 30.3mmol) in dry DMF (155mL) was treated with the diphenylphosphoroyl azide (6.55mL, 8.34g, 30.3mmol) followed by stirring at room temperature for 3h. The solution was then treated with water (2OmL) followed by warming at 1000C for Ih. The solution was cooled and the flask fitted with a short- path distillation head and the DMF removed by distillation under high vacuum. The solid residue was dissolved in EtOAc and washed with saturated sodium bicarbonate solution. Filtered through celite and the filtrate was washed with water (3x) and then with brine. Dried over Na2SO4, filtered and concentrated under vacuum to give the title compound as a beige solid (4.48g, 100 percent).
100%		Part 1. Preparation of 6-bromonaphthalen-2 -amine.[00328\| A solution of the product Part H (5.07 g, 20.19 mmol) and triethylamine (4.22 mL, 3.07 g,30.3 mmol) in dry N.N-dimethylformamide (155mL) was treated with the diphenylphosphoroyl azide(6.55 mL, 8.34 g, 30.3 mmol) followed by stirring at room temperature for 3 hours. The solution was then treated with water (20 mL) followed by warming at 100 0C for 1 hour. The solution was cooled and the flask fitted with a short-path distillation head and the NN-dimethylformamide was removed by distillation under high vacuum. The solid residue was dissolved in ethyl acetate and washed with saturated sodium bicarbonate solution. The organic layer was filtered through diatomaceous earth, and the filtrate was washed with water (3*) and then with brine. The organic layer was dried overNa2SO4, filtered and concentrated under vacuum to give the title compound as a beige solid (4.48 g,100 percent).

With diphenyl phosphoryl azide; triethylamine; In water; N,N-dimethyl-formamide; at 25 - 100℃; for 5h;

[000705j To a solution of Compound 89A (3.77 g, 15 mmol) and TEA (2.27 g, 22.5 mmol) in DMF (100 mL) was added DPPA (5.47 g, 22.5 mmol). The mixture was stirred at 25 °C for 3 h. Water (30 mL) was added, and the mixture was heated at 100 °C for 2 h. DMF was removed by distillation under vacuum. The residue was dissolved in ethyl acetate (300 mL) and saturated sodium bicarbonate (200 mL), and filtrated through celite. The organic phase was separated, washed with water (200 mL) and brine (200 mL), dried over anhydrous sodium sulfate, and evaporated to furnish Compound 89B. LC-MS (ESI) mlz: 222 [M+H] ?H-NMR (DMSO-d6, 400 MHz) 5 Qpm) 5.55 (s, 2H), 6.83 (s, 1H), 6.99 (d, J= 8.8 Hz, 1H), 7.36 (dd, J= 8.8, 1.6 Hz, 1H), 7.47 (d, J= 8.4 Hz, 1H), 7.59 (d, J= 8.8 Hz, 1H), 7.87 (s, 1H).

Reference： [1]Patent: WO2009/39127,2009,A1 .Location in patent: Page/Page column 175
[2]Patent: WO2009/39134,2009,A1 .Location in patent: Page/Page column 104
[3]Patent: WO2010/111437,2010,A1 .Location in patent: Page/Page column 74
[4]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 3793 - 3799
[5]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 1651 - 1655
[6]Patent: US2011/152246,2011,A1
[7]Patent: WO2015/65937,2015,A1 .Location in patent: Paragraph 000705

2
[ 5773-80-8 ]
[ 74-89-5 ]
[ 426219-35-4 ]

Yield	Reaction Conditions	Operation in experiment
89%		Reference Example 76-Bromo-2-naphthoic acid (10.1 g, 40.1 mmol) and N,N- dimethylformamide (4.75 g, 65.0 mmol) were added to toluene (80 mL) . To the reaction mixture was added dropwise thionyl chloride (5.7 g, 48.2 mmol) at 45 to 50C, and the mixture was stirred for 1 hr, and allowed to cool to room temperature. The reaction mixture was added dropwise at 10 to 25C to a solution prepared by adding triethylamine (11.4 g, 112.4 mmol) and 40% methylamine methanol solution (8.1 g, 104.4 mmol) to toluene (80 rnL) , and the mixture was stirred at room temperature for 1 hr.. To the reaction mixture was added dropwise water (50 mL) , and the mixture was stirred at room temperature. The crystals were collected by filtration, and washed with a mixed solvent (25 mL) of methanol/water (2:8) to give wet crystals. The total amount of the wet crystals was added to N,N- dimethylacetamide (70 mL) , and dissolved with heating to 60C. The reaction mixture was allowed to cool to room temperature, and water (140 mL) was added dropwise thereto. The crystals were collected by filtration, and washed with water (80 mL) to give wet crystals. The total amount of the wet crystals was suspended in ethyl acetate -(25 mL) with stirring at roomtemperature. The crystals were collected by filtration, and washed with ethyl acetate (5 mL) . The obtained wet crystals were dried under reduced pressure to give 6-bromo-N-methyl-2- naphthamide (9.4 g, 35.6 mmol). yield 89%.? NMR (500 MHz, DMSO-d6) delta 2.84 (d, J = 4.4 Hz, 3H) , 7.71 (dd, J = 8.8, 2.2 Hz, 1H) , 7.93 - 8.03 (m, 3H) , 8.28 (d, J = 1.9 Hz, 1H), 8.44 (s, 1H) , 8.62 (d, J = 4.1 Hz, 1H) ; HRMS (ESI) m/z Calcd for a Ci2HuNOBr [M+H]+: 264.0024, Found: 264.0019; Anal. Calcd for a Ci2Hi0NOBr: C, 54.57; H, 3.82; N, 5.30; Br, 30.25. Found: C, 54.56; H, 3.70; N, 5.34; Br, 30.23.
82%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 - 20℃; for 18h;Inert atmosphere;	Under an argon atmosphere, to a cooled (0 C) solution of 8 (60.26 g, 240 mmol), EDCI·HCl (55.21 g, 288 mmol), HOBt·H2O (44.1 g, 288 mmol) and N,N-diisopropylethylamine ((i-Pr)2NEt) (37.23 g, 288 mmol) in anhydrous N,N-dimethylformamide (DMF) (960 mL) was added dropwise to a solution of MeNH2 (2 M solution in THF; 192 mL, 384 mmol) and the whole was stirred at room temperature for 18 h. After dilution with water, the precipitate was filtered off, washed with H2O and i-Pr2O and dried under the reduced pressure to give 9a (60.6 g, 82%) as a colorless powder. 1H NMR (CDCl3 + CD3OD) delta: 3.04 (3H, s), 7.60 (1H, dd, J = 1.8 Hz, 8.6 Hz), 7.78 (2H, d, J = 8.6 Hz), 7.85 (1H, dd, J = 1.8 Hz, 8.6 Hz), 8.03 (1H, d, J = 1.8 Hz), 8.25 (1H, s). IR (KBr): 3274, 1638, 1622, 1559, 1495, 1408, 1316, 1159 cm-1. Anal. Calcd for C12H10NOBr.0.1H2O: C, 54.20; H, 3.87; N, 5.27; Br, 30.25. Found: C, 54.03; H, 3.72; N, 5.24.
80%		4 Liters of ethyl acetate and 25 ML of DMF were added to 500 g (1.99 mol) of 6-bromo-2-naphthoic acid. 188 ML (2.61 mol, 1.3eq) of thionyl chloride was added dropwise at 30C or lower.. The mixture was stirred at 65C for 30 minutes.. After cooled to 25C, a mixture of 408 ML (3.93 mol, 2eq) of a 40% solution of methylamine in methanol and 558 ML (4.01 mol, 2eq) of triethylamine was added dropwise at 25C or lower.. The mixture was stirred at 25C for 3 hours. 2.5 Liters of water was added dropwise at 25C or lower.. Crystals were filtered, and washed successively with 1.25 liters of a mixed solution of methanol/water=1/4.. Vacuum drying (50C) to a constant weight afforded 422 g of 6-bromo-N-methyl-2-naphthamide (yield 80%).1H NMR (CDCl3+CD3OD): delta 3.04 (3H, s), 7.60 (1H, dd, J=8.6, 1.8 Hz), 7.78 (2H, d, J=8.6 Hz), 7.85 (1H, dd, J=8.6, 1.8 Hz), 8.03 (1H, d, J=1.8 Hz), 8.25 (1H, s).

Reference： [1]Patent: WO2012/173280,2012,A1 .Location in patent: Page/Page column 32-33
[2]Bioorganic and Medicinal Chemistry,2011,vol. 19,p. 6356 - 6374
[3]Patent: EP1471056,2004,A1 .Location in patent: Page 32

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Technical Information

? Alkyl Halide Occurrence ? Arndt-Eistert Homologation ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Hiyama Cross-Coupling Reaction ? Hunsdiecker-Borodin Reaction ? Hydrogenolysis of Benzyl Ether ? Kinetics of Alkyl Halides ? Kumada Cross-Coupling Reaction ? Passerini Reaction ? Preparation of Alkylbenzene ? Preparation of Amines ? Preparation of Carboxylic Acids ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Carboxylic Acids ? Reactions of Dihalides ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Stille Coupling ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Ugi Reaction ? Vilsmeier-Haack Reaction

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[ 5773-80-8 ]

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[ 73183-34-3 ]

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[ 15761-39-4 ]

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[ 1575-37-7 ]

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[ 74761-42-5 ]

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P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

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[ CAS No. 5773-80-8 ] {[proInfo.proName]}

Quality Control of [ 5773-80-8 ]

Related Doc. of [ 5773-80-8 ]

Product Details of [ 5773-80-8 ]

Calculated chemistry of [ 5773-80-8 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 5773-80-8 ]

Application In Synthesis of [ 5773-80-8 ]

[ 5773-80-8 ] Synthesis Path-Upstream 1~1

[ 5773-80-8 ] Synthesis Path-Downstream 1~2

Technical Information

Pharmaceutical Intermediates of [ 5773-80-8 ]

Dasabuvir Intermediates

Ravidasvir Related Intermediates

Related Functional Groups of [ 5773-80-8 ]

Aryls

Bromides

Carboxylic Acids

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Pharmaceutical Intermediates of
[ 5773-80-8 ]

Related Functional Groups of
[ 5773-80-8 ]