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
4-((Trifluoromethyl)thio)aniline (CAS NO.372-16-7) is usually used as pharmaceutical intermediate.
Hazard Codes: Xn,T,Xi
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
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]- .
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