4-(Trifluoromethylthio)benzonitrile

Modify Date: 2025-08-24 22:21:10

4-(Trifluoromethylthio)benzonitrile Structure
4-(Trifluoromethylthio)benzonitrile structure
 Common Name 4-(Trifluoromethylthio)benzonitrile
CAS Number 332-26-3 Molecular Weight 203.184
Density 1.4±0.1 g/cm3 Boiling Point 187.6±40.0 °C at 760 mmHg
Molecular Formula C8H4F3NS Melting Point 39-43 °C(lit.)
MSDS Chinese USA Flash Point 67.3±27.3 °C

 Names

Name 4-(trifluoromethylsulfanyl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 187.6±40.0 °C at 760 mmHg
Melting Point 39-43 °C(lit.)
Molecular Formula C8H4F3NS
Molecular Weight 203.184
Flash Point 67.3±27.3 °C
Exact Mass 203.001648
PSA 49.09000
LogP 3.37
Vapour Pressure 0.6±0.4 mmHg at 25°C
Index of Refraction 1.517

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes T: Toxic;
Risk Phrases R20/21/22
Safety Phrases S26-S36/37/39
RIDADR 3276

 Synthetic Route

Sodium perfluoroacetate structure

Sodium perfluor...

CAS#:2923-18-4

4-Cyanophenylboronic acid structure

4-Cyanophenylbo...

CAS#:126747-14-6

~20%

4-(Trifluoromethylthio)benzonitrile Structure

4-(Trifluoromet...

CAS#:332-26-3

Literature: Zhai, Lijuan; Li, Yaming; Yin, Jun; Jin, Kun; Zhang, Rong; Fu, Xinmei; Duan, Chunying Tetrahedron, 2013 , vol. 69, # 48 p. 10262 - 10266
cyano derivative of benzenediazonium tetrafluoroborate structure

cyano derivativ...

CAS#:2252-32-6

(Trifluoromethyl)trimethylsilane structure

(Trifluoromethy...

CAS#:81290-20-2

~83%

4-(Trifluoromethylthio)benzonitrile Structure

4-(Trifluoromet...

CAS#:332-26-3

Literature: Danoun, Gregory; Bayarmagnai, Bilguun; Gruenberg, Matthias F.; Goossen, Lukas J. Chemical Science, 2014 , vol. 5, # 4 p. 1312 - 1316
(Trifluoromethyl)trimethylsilane structure

(Trifluoromethy...

CAS#:81290-20-2

4-Cyanophenylboronic acid structure

4-Cyanophenylbo...

CAS#:126747-14-6

~72%

4-(Trifluoromethylthio)benzonitrile Structure

4-(Trifluoromet...

CAS#:332-26-3

Literature: Chen, Chao; Xie, Yan; Chu, Lingling; Wang, Ruo-Wen; Zhang, Xingang; Qing, Feng-Ling Angewandte Chemie - International Edition, 2012 , vol. 51, # 10 p. 2492 - 2495
4-Iodobenzonitrile structure

4-Iodobenzonitrile

CAS#:3058-39-7

Copper(1+)trifluoromethanethiolate-2,2'-bipyridine structure

Copper(1+)trifl...

CAS#:1413732-47-4

~82%

4-(Trifluoromethylthio)benzonitrile Structure

4-(Trifluoromet...

CAS#:332-26-3

Literature: Weng, Zhiqiang; He, Weiming; Chen, Chaohuang; Lee, Richmond; Tan, Davin; Lai, Zhiping; Kong, Dedao; Yuan, Yaofeng; Huang, Kuo-Wei Angewandte Chemie - International Edition, 2013 , vol. 52, # 5 p. 1548 - 1552 Angew. Chem., 2013 , vol. 125, # 5 p. 1588 - 1592

 Synonyms

Benzonitrile, 4-[(trifluoromethyl)thio]-
p-Cyanophenyl trifluoromethyl sulfide
4-trifluoromethylsulfanyl-benzonitrile
NCR DSXFFF
MFCD00039475
4-[(Trifluoromethyl)thio]benzonitrile
4-Trifluormethylmercapto-benzonitril
4-[(Trifluoromethyl)sulfanyl]benzonitrile
4-(Trifluoromethylthio)benzonitrile
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