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ChemicalBook--->CAS DataBase List--->98-16-8

98-16-8

98-16-8 Structure

98-16-8 Structure
IdentificationMore
[Name]

3-Aminobenzotrifluoride
[CAS]

98-16-8
[Synonyms]

2-NITRO-5-AMINO BENZOTRIFLUORIDE
3-AMINO-6-NITROBENZOTRIFLUORIDE
4-NITRO-3-(TRIFLUOROMETHYL)ANILINE
4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINE
5-AMINO-2-NITROBENZOTRIFLUORIDE
TIMTEC-BB SBB006652
1-Amino-3-(trifluoromethyl)benzene
3-(trifluoromethyl)
3-(trifluoromethyl)-benzenamin
3-(Trifluoromethyl)benzenamine
3-(trifluoromethyl)-benzenamine
3-amino-alpha,alpha,alpha-trifluoro-toluen
3-amino-alpha,alpha,alpha-trifluorotoluene
3-aminotrifluorotoluene
3-trifluoromethyl
3-Trifluromethylaniline
alpha,alpha,alpha-trifluoro-m-toluidin
aniline,3-(trifluoromethyl)-
Benzenamine,3-(trifluoromethyl)-
m-Amino-a,a,a-trifluorotoluene
[EINECS(EC#)]

206-884-6
[Molecular Formula]

C7H6F3N
[MDL Number]

MFCD00014717
[Molecular Weight]

161.12
[MOL File]

98-16-8.mol
Chemical PropertiesBack Directory
[Appearance]

Benzenamine, 3-(trifluoromethyl)-is a combustible, colorless to yellow oily liquid. Unpleasant amine odor.
[Melting point ]

5 °C
[Boiling point ]

187 °C(lit.)
[density ]

1.29 g/mL at 25 °C(lit.)
[vapor pressure ]

0.3 mm Hg ( 20 °C)
[refractive index ]

n20/D 1.480(lit.)
[Fp ]

185 °F
[storage temp. ]

Store below +30°C.
[solubility ]

5 g/L (20°C)
[form ]

Liquid
[pka]

3.49(at 25℃)
[color ]

Clear light yellow
[Specific Gravity]

1.290
[Water Solubility ]

5 g/L (20 ºC)
[BRN ]

387672
[Exposure limits]

ACGIH: TWA 2.5 mg/m3
NIOSH: IDLH 250 mg/m3
[InChIKey]

VIUDTWATMPPKEL-UHFFFAOYSA-N
[LogP]

2.09-2.16 at 25-30℃ and pH5.9
[Surface tension]

64.5mN/m at 1g/L and 22.2℃
[Uses]

Pharmaceutical intermediate.
[CAS DataBase Reference]

98-16-8(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenamine, 3-(trifluoromethyl)-(98-16-8)
[EPA Substance Registry System]

98-16-8(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi,T,T+,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R33:Danger of cumulative effects.
R23:Toxic by inhalation.
R21/22:Harmful in contact with skin and if swallowed .
R26:Very Toxic by inhalation.
R24:Toxic in contact with skin.
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 2948 6.1/PG 2
[WGK Germany ]

2
[RTECS ]

XU9180000
[Hazard Note ]

Toxic/Irritant
[TSCA ]

T
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29214300
[Safety Profile]

Poison by inhalation, ingestion, and intraperitoneal routes. May be moderately toxic by other routes. See also AMINES and FLUORIDES. When heated to decomposition it emits very toxic fumes of Fand NOx,.
[Hazardous Substances Data]

98-16-8(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Toluene-->Nitric acid-->Iron-->Benzotrifluoride-->3-Nitrobenzotrifluoride
[Preparation Products]

Flufenamic acid-->3-(Trifluoromethyl)phenyl isocyanate-->N-(3-Trifluoromethylphenyl)piperazine-->7-TRIFLUOROMETHYL-4-QUINOLINETHIOL-->7-(TRIFLUOROMETHYL)-4-QUINOLINOL-->4-HYDROXY-7-TRIFLUOROMETHYL-3-QUINOLINECARBOXYLIC ACID-->3-Bromobenzotrifluoride-->BENDROFLUMETHIAZIDE-->7-(TRIFLUOROMETHYL)QUINOLINE-->Fluometuron-->Flutamide-->4-Chloro-7-(trifluoromethyl)quinoline-->Fluorochloridone-->4-Aminobenzotrifluoride-->ETHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE-->3-Amino-4-nitrobenzitrifluoride-->4-Amino-2-(trifluoromethyl)benzonitrile-->[1,1'-Biphenyl]-2-amine, 5-(trifluoromethyl)--->2,4-Dibromo-5-(trifluoromethyl)aniline-->2-Bromo-5-(trifluoromethyl)aniline
Hazard InformationBack Directory
[General Description]

A colorless liquid with a fishlike odor. Insoluble in water and denser than water. Toxic by ingestion and inhalation. Used to make dyes and pharmaceuticals.
[Reactivity Profile]

3-TRIFLUOROMETHYLANILINE(98-16-8) is a halogenated amine derivative. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.
[Air & Water Reactions]

Insoluble in water.
[Health Hazard]

Contact may cause burns to skin and eyes. May be poisonous if inhaled, swallowed or absorbed through the skin.
[Potential Exposure]

This material is used as a chemical intermediate for herbicides, antihypertensives, and diuretics.
[Fire Hazard]

This material may burn but does not ignite readily. Cylinder may explode in heat of fire. When heated to decomposition, 3-TRIFLUOROMETHYLANILINE emits very toxic fumes of fluorides and nitrogen oxides.
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. 384 Benzenamine, 3-(Trifluoromethyl)- If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit. Keep victim quiet and maintain normal body temperature. Effects may be delayed; keep victim under observation.
[Shipping]

UN29483-Trifluoromethylaniline, Hazard Class: 6.1; Labels: 6.1—Poisonous materials.
[Incompatibilities]

Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides. Light and air sensitive.
[Description]

Benzenamine, 3-(trifluoromethyl)- is a combustible, colorless to yellow oily liquid with an amine-likeodor. Molecular weight=161.14; Boiling point = 187.5℃;Freezing/Melting point= 3℃; Flash point =85℃.Hazard Identification (based on NFPA-704 M RatingSystem): Health 2, Flammability 1, Reactivity 0.
[Chemical Properties]

Benzenamine, 3-(trifluoromethyl)-is a combustible, colorless to yellow oily liquid. Unpleasant amine odor.
[Chemical Properties]

Clear light yellow liquid
[storage]

Color Code—Green: General storage may be used.Store in tightly closed, light-resistant containers in a cool,well-ventilated area away from oxidizers. Sources of ignition, such as smoking and open flames, are prohibitedwhere this chemical is used, handled, or stored in a mannerthat could create a potential fire or explosion hazard.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Aminobenzotrifluoride(98-16-8).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-Aminobenzotrifluoride(98-16-8)MS
3-Aminobenzotrifluoride(98-16-8)1HNMR
3-Aminobenzotrifluoride(98-16-8)13CNMR
3-Aminobenzotrifluoride(98-16-8)IR1
3-Aminobenzotrifluoride(98-16-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Aminobenzotrifluoride, 99+%(98-16-8)
[Alfa Aesar]

3-(Trifluoromethyl)aniline, 99%(98-16-8)
[Sigma Aldrich]

98-16-8(sigmaaldrich)
[TCI AMERICA]

3-Aminobenzotrifluoride,>99.0%(GC)(98-16-8)
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