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372-16-7

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Basic Information
CAS No.: 372-16-7
Name: 4-(Trifluoromethylthio)aniline
Article Data: 17
Molecular Structure:
Molecular Structure of 372-16-7 (4-(Trifluoromethylthio)aniline)
Formula: C7H6F3NS
Molecular Weight: 193.193
Synonyms: Aniline,p-[(trifluoromethyl)thio]- (6CI,7CI,8CI);4-Trifluoromethylsulfanylaniline;4-Trifluoromethylsulfanylphenylamine;4-Trifluoromethylthioaniline;4-[(Trifluoromethyl)mercapto]benzenamine;p-Aminophenyl trifluoromethyl sulfide;p-Trifluoromethylsulfanylphenylamine;p-[(Trifluoromethyl)thio]aniline;Benzenamine,4-[(trifluoromethyl)thio]-;
EINECS: 206-744-4
Density: 1.37 g/cm3
Boiling Point: 183 °C at 760 mmHg
Flash Point: 64.5 °C
Solubility: Insoluble in water
Appearance: clear colorless to yellow liquid
Hazard Symbols: HarmfulXn, IrritantXi, ToxicT
Risk Codes: 20/21/22
Safety: 36-36/37
Transport Information: UN 2810
PSA: 51.32000
LogP: 3.46190
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Chemistry


IUPAC Name: 4-(Trifluoromethylsulfanyl)aniline
Canonical SMILES: C1=CC(=CC=C1N)SC(F)(F)F
InChI: InChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H,11H2
InChIKey: OHHHTUXVBNGOGI-UHFFFAOYSA-N
Molecular Weight: 193.18945 [g/mol]
Molecular Formula: C7H6F3NS
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 4 
EINECS: 206-744-4
Product Categories: Organic Building Blocks; Sulfides / Disulfides; Sulfur Compounds 
Water Solubility: insoluble 
Index of Refraction: 1.531
Molar Refractivity: 43.37 cm3
Molar Volume: 140 cm3
Surface Tension: 38 dyne/cm
Density: 1.37 g/cm3
Flash Point: 64.5 °C
Enthalpy of Vaporization: 41.92 kJ/mol
Boiling Point: 183 °C at 760 mmHg
Vapour Pressure: 0.788 mmHg at 25 °C
Appearance of 4-((Trifluoromethyl)thio)aniline (CAS NO.372-16-7): clear colorless to yellow liquid

Uses

  4-((Trifluoromethyl)thio)aniline (CAS NO.372-16-7) is usually used as pharmaceutical intermediate.

Safety Profile

Hazard Codes:  HarmfulXn,ToxicT,IrritantXi
Risk Statements: 20/21/22 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36-36/37 
S36:Wear suitable protective clothing. 
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN2810
WGK Germany: 3
Hazard Note: Toxic
HazardClass: 6.1
PackingGroup: III

Specification

  4-((Trifluoromethyl)thio)aniline (CAS NO.372-16-7), its Synonyms are Aniline,p-[(trifluoromethyl)thio]- (6CI,7CI,8CI) ; 4-Trifluoromethylsulfanylaniline ; 4-Trifluoromethylsulfanylphenylamine ; 4-[(Trifluoromethyl)mercapto]benzenamine ; p-Trifluoromethylsulfanylphenylamine ; Benzenamine,4-[(trifluoromethyl)thio]- .