3-(Trifluoromethyl)benzyl cyanide

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Names

[ CAS No. ]:
2338-76-3

[ Name ]:
3-(Trifluoromethyl)benzyl cyanide

[Synonym ]:
3-(Trifluoromethyl)benzyl cyanide
MFCD00001913
Acetonitrile, (α,α,α-trifluoro-m-tolyl)- (7CI,8CI)
3-trifluoromethylbenzylcyanide
Acetonitrile, (α,α,α-trifluoro-m-tolyl)-
EINECS 219-053-8
[3-(Trifluoromethyl)phenyl]acetonitrile
Benzeneacetonitrile,3-(trifluoromethyl)
NC1R CXFFF
Benzeneacetonitrile, 3-(trifluoromethyl)-
3-Trifluoromethylphenylacetonitrile
2-(3-trifluoromethylphenyl)acetonitrile
m-Trifluoromethylbenzyl cyanide
2-[3-(Trifluoromethyl)phenyl]acetonitrile
3-(Trifluoromethyl)benzeneacetonitrile
3-(Trifluoromethyl)phenylacetonitrile
2-(m-(trifluoromethyl)phenyl)acetonitrile
3-trifluoromethylbenzylnitrile

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
238.9±0.0 °C at 760 mmHg

[ Molecular Formula ]:
C9H6F3N

[ Molecular Weight ]:
185.146

[ Flash Point ]:
48.9±0.0 °C

[ Exact Mass ]:
185.045227

[ PSA ]:
23.79000

[ LogP ]:
2.02

[ Vapour Pressure ]:
0.0±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.458

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1820000
CHEMICAL NAME :
Benzeneacetonitrile, 3-(trifluoromethyl)-
CAS REGISTRY NUMBER :
2338-76-3
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H6-F3-N
MOLECULAR WEIGHT :
185.16
WISWESSER LINE NOTATION :
NC1R CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H226-H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R10;R20/21/22;R36/37/38

[ Safety Phrases ]:
S16-S26-S27-S36/37/39

[ RIDADR ]:
UN 1993 3/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
CY1820000

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • POTASSIUM CYANIDE
  • 1-(Bromomethyl)-3-(trifluoromethyl)benzene
  • 3-(Trifluoromethyl)benzyl chloride
  • [3-(trifluoromethyl)phenyl]acetamide
  • 3-Bromobenzotrifluoride
  • Sodium cyanide
  • 1-Methyl-3-(trifluoromethyl)benzene
  • [3-(Trifluoromethyl)phenyl]methanol
  • m-trifluoro-methyl-phenyl-magnesium bromide

DownStream

  • 2-[3-(Trifluoromethyl)phenyl]ethanol
  • 3-(Trifluoromethyl)phenylacetic acid
  • N-BOC-2-(3-TRIFLUOROMETHYLPHENYL)-DL-GLYCINE
  • 2-(3-(TRIFLUOROMETHYL)PHENYL)ACETALDEHYDE
  • 1-(2-Bromoethyl)-3-(trifluoromethyl)benzene
  • 1-(3-(trifluoromethyl)phenyl)cyclobutanecarbonitrile
  • Amino[3-(trifluoromethyl)phenyl]acetic acid
  • Methyl [3-(trifluoromethyl)phenyl]acetate
  • 2-[3-(Trifluoromethyl)phenyl]ethanamine
  • 3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]-acrylonitrile

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 2-Methyl-3-(trifluoromethyl)benzyl cyanide
  • 4-Fluoro-3-(trifluoromethyl)benzyl cyanide
  • 4-Chloro-3-(trifluoromethyl)benzyl cyanide
  • 2-Methoxy-3-(trifluoromethyl)benzyl cyanide
  • 2,6-Dichloro-3-(trifluoromethyl)benzyl cyanide
  • 3-(trifluoromethyl)benzyl carbamimidothioate