4-(Trifluoromethyl)benzenecarbothioamide

Modify Date: 2024-01-09 18:17:38

4-(Trifluoromethyl)benzenecarbothioamide Structure
4-(Trifluoromethyl)benzenecarbothioamide structure
Common Name 4-(Trifluoromethyl)benzenecarbothioamide
CAS Number 72505-21-6 Molecular Weight 205.200
Density 1.4±0.1 g/cm3 Boiling Point 246.0±50.0 °C at 760 mmHg
Molecular Formula C8H6F3NS Melting Point 136-137 °C
MSDS USA Flash Point 102.6±30.1 °C

 Names

Name 4-(Trifluoromethyl)thiobenzamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 246.0±50.0 °C at 760 mmHg
Melting Point 136-137 °C
Molecular Formula C8H6F3NS
Molecular Weight 205.200
Flash Point 102.6±30.1 °C
Exact Mass 205.017303
PSA 58.11000
LogP 2.46
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.547
Storage condition Refrigerator (+4°C)

 Safety Information

Hazard Codes Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S36/37/39-S26-S22
RIDADR 2811
Packaging Group III
Hazard Class 6.1
HS Code 2930909090

 Synthetic Route

~99%

4-(Trifluoromethyl)benzenecarbothioamide Structure

4-(Trifluoromet...

CAS#:72505-21-6

Literature: Louvel, Julien; Guo, Dong; Agliardi, Marta; Mocking, Tamara A. M.; Kars, Roland; Pham, Tan Phat; Xia, Lizi; De Vries, Henk; Brussee, Johannes; Heitman, Laura H.; Ijzerman, Adriaan P. Journal of Medicinal Chemistry, 2014 , vol. 57, # 8 p. 3213 - 3222

~73%

4-(Trifluoromethyl)benzenecarbothioamide Structure

4-(Trifluoromet...

CAS#:72505-21-6

Literature: GLAXO GROUP LIMITED Patent: WO2004/6924 A1, 2004 ; Location in patent: Page/Page column 26 ;

~%

4-(Trifluoromethyl)benzenecarbothioamide Structure

4-(Trifluoromet...

CAS#:72505-21-6

Literature: US5342851 A1, ;

~54%

4-(Trifluoromethyl)benzenecarbothioamide Structure

4-(Trifluoromet...

CAS#:72505-21-6

Literature: You, Qi-Dong; Zhou, Hou-Yuan; Wang, Qi-Zhou; Lei, Xing-Han Organic Preparations and Procedures International, 1991 , vol. 23, # 4 p. 435 - 438

~%

4-(Trifluoromethyl)benzenecarbothioamide Structure

4-(Trifluoromet...

CAS#:72505-21-6

Literature: US4788207 A1, ;

~%

4-(Trifluoromethyl)benzenecarbothioamide Structure

4-(Trifluoromet...

CAS#:72505-21-6

Literature: Journal of Chemical Research, , # 3 p. 151 - 153

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

4-(Trifluoromethyl)thiobenzamide
4-(trifluoromethyl)benzene-1-carbothioamide
Benzenecarbothioamide, 4-(trifluoromethyl)-
MFCD00051806
4-(Trifluoromethyl)benzenecarbothioamide
SUYZR DXFFF