3-methyl-4-(trifluoromethyl)benzonitrile

Modify Date: 2024-01-09 10:22:03

3-methyl-4-(trifluoromethyl)benzonitrile Structure
3-methyl-4-(trifluoromethyl)benzonitrile structure
Common Name 3-methyl-4-(trifluoromethyl)benzonitrile
CAS Number 871571-28-7 Molecular Weight 185.14600
Density N/A Boiling Point N/A
Molecular Formula C9H6F3N Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-methyl-4-(trifluoromethyl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C9H6F3N
Molecular Weight 185.14600
Exact Mass 185.04500
PSA 23.79000
LogP 2.88548
InChIKey DNVBDMCLGYHTFD-UHFFFAOYSA-N
SMILES Cc1cc(C#N)ccc1C(F)(F)F

 Synthetic Route

~81%

3-methyl-4-(trifluoromethyl)benzonitrile Structure

3-methyl-4-(tri...

CAS#:871571-28-7

Literature: McArthur, Silvia Gatti; Goetschi, Erwin; Wichmann, Juergen; Woltering, Thomas Johannes Patent: US2007/72879 A1, 2007 ; Location in patent: Page/Page column 11 ; US 20070072879 A1

~87%

3-methyl-4-(trifluoromethyl)benzonitrile Structure

3-methyl-4-(tri...

CAS#:871571-28-7

Literature: Hafner, Andreas; Braese, Stefan Advanced Synthesis and Catalysis, 2013 , vol. 355, # 5 p. 996 - 1000

~96%

3-methyl-4-(trifluoromethyl)benzonitrile Structure

3-methyl-4-(tri...

CAS#:871571-28-7

Literature: Hafner, Andreas; Braese, Stefan Advanced Synthesis and Catalysis, 2013 , vol. 355, # 5 p. 996 - 1000

 Synonyms

3-methyl-4-trifluoromethyl-benzonitrile
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