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Cas Database |
| Name |
4-(Trifluoromethylthio)aniline |
EINECS | 206-744-4 |
| CAS No. | 372-16-7 | Density | 1.37 g/cm3 |
| PSA | 51.32000 | LogP | 3.46190 |
| Solubility | Insoluble in water | Melting Point |
N/A |
| Formula | C7H6F3NS | Boiling Point | 183 °C at 760 mmHg |
| Molecular Weight | 193.193 | Flash Point | 64.5 °C |
| Transport Information | UN 2810 | Appearance | clear colorless to yellow liquid |
| Safety | 36-36/37 | Risk Codes | 20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi,  T
|
| 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]-; |
Article Data | 17 |
4-(Trifluoromethylthio)aniline Chemical Properties
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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-(Trifluoromethylthio)aniline Uses
4-((Trifluoromethyl)thio)aniline (CAS NO.372-16-7) is usually used as pharmaceutical intermediate.
4-(Trifluoromethylthio)aniline Safety Profile
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-(Trifluoromethylthio)aniline 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]- .
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