3-(Trifluoromethyl)benzyl cyanide

Modify Date: 2025-08-21 00:47:08

3-(Trifluoromethyl)benzyl cyanide Structure
3-(Trifluoromethyl)benzyl cyanide structure
 Common Name 3-(Trifluoromethyl)benzyl cyanide
CAS Number 2338-76-3 Molecular Weight 185.146
Density 1.2±0.1 g/cm3 Boiling Point 238.9±0.0 °C at 760 mmHg
Molecular Formula C9H6F3N Melting Point N/A
MSDS Chinese USA Flash Point 48.9±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07		 Signal Word Warning

 Names

Name 2-[3-(trifluoromethyl)phenyl]acetonitrile
Synonym More Synonyms

 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

 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
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

 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%

 Synonyms

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
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