[3-(Trifluoromethyl)phenyl]acetonitrile

Basic Information

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CAS Number

2338-76-3

Molecular Formula

C9H6F3N

Molecular Weight

174.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

93°C/4mmHg

Refractive Index

n20/D 1.4565(lit.)

SMILES

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C1=CC(=CC(=C1)C(F)(F)F)CC#N

InChI

InChI=1S/C9H6F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4H2

InChIKey

JOIYKSLWXLFGGR-UHFFFAOYSA-N

LogP

3.267800000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

213

Safety Information

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GHS Hazard Pictograms

H226

H302

H312

H315

H319

H332

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

2-(3-trifluoromethylphenyl)acetonitrile
Tox21_302714
PS-8507
(3-trifluoromethylphenyl)-acetonitrile
NS00048818
m-Trifluoromethylphenylacetonitrile
EINECS 219-053-8
AM61426
AC-4200
Benzeneacetonitrile, 3-(trifluoromethyl)-
3-trifluoromethylphenyl acetonitrile
2‐[3‐(trifluoromethyl)phenyl]acetonitrile (Hit 13)
DTXSID9044617
SCHEMBL38024
W-107403
m-(Trifluoromethyl)benzylcyanide
alpha-(3-trifluoromethylphenyl)-acetonitrile
BRN 0909640
CS-W016956
Acetonitrile, (alpha,alpha,alpha-trifluoro-m-tolyl)-
3-(Trifluoromethyl)benzeneacetonitrile
[3-(Trifluoromethyl)phenyl]acetonitrile
BDBM108245
3-Trifluormethylbenzylcyanide
3-trifluoromethylbenzyl cyanide
2-(3-(trifluoromethyl)phenyl)acetonitrile
3-Trifluoromethylphenylacetonitrile
CAS-2338-76-3
3-trifluoromethyl-phenylacetonitrile
(3-(TRIFLUOROMETHYL)PHENYL)ACETONITRILE
(3-Trifluoromethyl-phenyl)-acetonitrile

MDL Number

MFCD00001913

Customs Code

2926909090

FAQ

What is [3-(Trifluoromethyl)phenyl]acetonitrile (CAS: 2338-76-3)?

[3-(Trifluoromethyl)phenyl]acetonitrile is a chemical compound with the CAS number 2338-76-3. It has the chemical formula C9H5F3NC and is a colorless or pale yellow liquid with a pungent odor. It is used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals.

What are the main uses of [3-(Trifluoromethyl)phenyl]acetonitrile (CAS: 2338-76-3)?

[3-(Trifluoromethyl)phenyl]acetonitrile is primarily used as an intermediate in the production of pharmaceuticals and agrochemicals. It also finds applications in the synthesis of dyes and as a reagent in organic chemistry.

Is [3-(Trifluoromethyl)phenyl]acetonitrile (CAS: 2338-76-3) safe?

[3-(Trifluoromethyl)phenyl]acetonitrile should be handled with caution due to its irritant properties. It is classified as a skin and eye irritant. Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat is recommended when handling the compound. It is not considered toxic by inhalation or ingestion, but exposure should be minimized. Follow all safety guidelines and work in a well-ventilated area or fume hood.

How should [3-(Trifluoromethyl)phenyl]acetonitrile (CAS: 2338-76-3) be stored?

[3-(Trifluoromethyl)phenyl]acetonitrile should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and sources of heat. It should be kept at a temperature not exceeding 25°C to ensure stability. Avoid contact with air to prevent oxidation. Store it away from incompatible materials such as strong acids or bases. Ensure proper ventilation in storage areas.