[ CAS No. 355-80-6 ] {[proInfo.proName]}

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2D 3D

Structure of 355-80-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 355-80-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 355-80-6 ]

SDS Specification

Alternatived Products of [ 355-80-6 ]

Product Details of [ 355-80-6 ]

CAS No. :	355-80-6	MDL No. :	MFCD00039631
Formula :	C₅H₄F₈O	Boiling Point :	-
Linear Structure Formula :	H(CF₂)₄CH₂OH	InChI Key :	JUGSKHLZINSXPQ-UHFFFAOYSA-N
M.W :	232.07	Pubchem ID :	9641
Synonyms :

Calculated chemistry of [ 355-80-6 ] Expand+

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	9.0
Num. H-bond donors :	1.0
Molar Refractivity :	27.83
TPSA :	20.23 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.49
Log Po/w (XLOGP3) :	2.35
Log Po/w (WLOGP) :	5.51
Log Po/w (MLOGP) :	2.54
Log Po/w (SILICOS-IT) :	3.04
Consensus Log Po/w :	2.99

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.5
Solubility :	0.742 mg/ml ; 0.0032 mol/l
Class :	Soluble
Log S (Ali) :	-2.41
Solubility :	0.893 mg/ml ; 0.00385 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.15
Solubility :	1.66 mg/ml ; 0.00714 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.97

Safety of [ 355-80-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P370+P378-P362+P364-P403+P233-P501	UN#:	N/A
Hazard Statements:	H227-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 355-80-6 ]

* 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.

Downstream synthetic route of [ 355-80-6 ]

[ 355-80-6 ] Synthesis Path-Downstream 1~4

1
[ 355-80-6 ]
[ 99-14-9 ]
[ 376-85-2 ]

Reference： [1]Industrial and Engineering Chemistry,1956,vol. 48,p. 445,447

2
[ 77-79-2 ]
[ 355-80-6 ]
[ 1192-16-1 ]
[ 59048-70-3 ]

Reference： [1]Chemistry of Heterocyclic Compounds,1982,vol. 18,p. 360 - 361

3
[ 355-80-6 ]
[ 3839-35-8 ]
1-(2,2,3,3,4,4,5,5-octafluoropentoxy)hexane [ No CAS ]

Reference： [1]Russian Journal of Applied Chemistry,2005,vol. 78,p. 1646 - 1650

4
[ 78385-26-9 ]
[ 355-80-6 ]
[ 879546-73-3 ]

Yield	Reaction Conditions	Operation in experiment
	With tetrabutylammomium bromide; potassium hydroxide; In water; at 60 - 75℃; for 73h;	General procedure: 3-Methyl-3-(2,2,3,3,-tetrafluoropropoxymethyl)oxetane and 3-methyl-3-(2,2,3,3,4,4,5,5-octafluoropentyloxymethyl)-oxetane are designated 4F and 8F monomers (Fig.1). Their preparation was carried out by nucleophilic substitution using phase transfer catalysis (TBAB) [37-39]. Scheme S1 illustrates the reaction of BrOx with fluorinated alcohols. As a specific example for 4F monomer, BrOx (41.25g, 250mmol), 4F alcohol (46.2g, 350mmol) and TBAB (5g, 0.0125mmol) were heated to 60C in 20mL water. Aqueous KOH (15.8g, 87%) in water (20mL) was added drop wise over 1h. The solution was heated to 75C with stirring for 72h. 4F monomer was extracted with dichloromethane, the solution dried with MgSO4, and the product freed of solvent with a rotovap. GC-MS showed the presence of a small amount of BrOx. Short path distillation gave >99% 4F monomer (b.p. 85C/3.3mmHg). 8F monomer was prepared and purified in an analogous manner (b.p. 65C/0.8mmHg).

Reference： [1]Polymer,2014,vol. 55,p. 2170 - 2178

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Isomers

Technical Information

? Alkyl Halide Occurrence ? Appel Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chugaev Reaction ? Corey-Kim Oxidation ? Dess-Martin Oxidation ? Heat of Combustion ? Hydride Reductions ? Jones Oxidation ? Martin's Sulfurane Dehydrating Reagent ? Mitsunobu Reaction ? Moffatt Oxidation ? Oxidation of Alcohols by DMSO ? Preparation of Alcohols ? Preparation of Amines ? Reactions of Alcohols ? Reactions with Organometallic Reagents ? Ritter Reaction ? Sharpless Olefin Synthesis ? Swern Oxidation

Historical Records

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[ 355-80-6 ]

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1H,1H,2H,2H-Nonafluoro-1-hexanol

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2,2,3,3-Tetrafluoropropan-1-ol

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P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
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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.
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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
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H221	Flammable gas
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H242	Heating may cause a fire
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Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
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H411	Toxic to aquatic life with long-lasting effects
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[ CAS No. 355-80-6 ] {[proInfo.proName]}

Quality Control of [ 355-80-6 ]

Related Doc. of [ 355-80-6 ]

Product Details of [ 355-80-6 ]

Calculated chemistry of [ 355-80-6 ] Expand+

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 355-80-6 ]

Application In Synthesis of [ 355-80-6 ]

[ 355-80-6 ] Synthesis Path-Downstream 1~4

Technical Information

Related Functional Groups of [ 355-80-6 ]

Fluorinated Building Blocks

Aliphatic Chain Hydrocarbons

Alcohols

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 355-80-6 ]