Benzenethiol,2-amino-4-(trifluoromethyl)- supplier

Name
2-AMINO-4-(TRIFLUOROMETHYL)THIOPHENOL3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE
EINECS 243-038-5
CAS No. 19406-49-6
Article Data11
CAS DataBase
Density 1.401 g/cm³
Solubility
Melting Point 196-198 °C
Formula C₇H₆F₃NS
Boiling Point 241.5 °C at 760 mmHg
Molecular Weight 193.193
Flash Point 99.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-Toluenethiol,2-amino-a,a,a-trifluoro- (8CI);2-Amino-4-trifluoromethylbenzenethiol;
PSA 64.82000
LogP 3.15750

Benzenethiol,2-amino-4-(trifluoromethyl)- Specification

The Benzenethiol,2-amino-4-(trifluoromethyl)-, with the CAS registry number 19406-49-6, is also known as 3-Amino-4-mercaptobenzotrifluoride hydrochloride. It belongs to the product category of Phenol & Thiophenol & Mercaptan. This chemical's molecular formula is C₇H₆F₃NS and molecular weight is 193.18945. Its IUPAC name is called 2-amino-4-(trifluoromethyl)benzenethiol.

Physical properties of Benzenethiol,2-amino-4-(trifluoromethyl)-: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.2; (3)ACD/LogD (pH 7.4): 2.74; (4)ACD/BCF (pH 5.5): 152.62; (5)ACD/BCF (pH 7.4): 52.22; (6)ACD/KOC (pH 5.5): 1207.12; (7)ACD/KOC (pH 7.4): 413.02; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.545; (12)Molar Refractivity: 43.64 cm³; (13)Molar Volume: 137.8 cm³; (14)Surface Tension: 36.5 dyne/cm; (15)Density: 1.401 g/cm³; (16)Flash Point: 99.8 °C; (17)Enthalpy of Vaporization: 47.84 kJ/mol; (18)Boiling Point: 241.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0358 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)N)S
(2)InChI: InChI=1S/C7H6F3NS/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2
(3)InChIKey: MVTRQRSNYWDWMY-UHFFFAOYSA-N

Product Name

2-AMINO-4-(TRIFLUOROMETHYL)THIOPHENOL3-AMINO-4-MERCAPTOBENZOTRIFLUORIDE

Benzenethiol,2-amino-4-(trifluoromethyl)- Specification

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