(2-Chlorophenyl)acetonitrile

Basic Information

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CAS Number

2856-63-5

Molecular Formula

C8H6ClN

Molecular Weight

140.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

24 °C

Boiling Point

240-242 °C

Refractive Index

n20/D 1.544(lit.)

SMILES

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

InChI

InChI=1S/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2

InChIKey

MRDUURPIPLIGQX-UHFFFAOYSA-N

LogP

2.902400000000001

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

147

Safety Information

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GHS Hazard Pictograms

H315

H319

H330

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-(2-chlorophenyl) acetonitrile
NSC39462
NSC 39462
FT-0611999
AKOS000199192
o-Chlorophenylacetonitrile
2-chlorobenzylcyanide
NS00028507
EINECS 220-669-4
DTXSID40182773
STR01093
BP-13330
NSC-39462
AC-10303
Benzeneacetonitrile, 2-chloro-
s12394
2-Chlorobenzyl cyanide, 97%
W-107041
2856-63-5
2-Chlorobenzyl cyanide
2-chloro-phenyl-acetonitrile
(2-Chloro-phenyl)-acetonitrile
2-Chlorophenylacetonitrile
MFCD00001898
3Y6ZL4BQ95
SCHEMBL1020369
2-Chlorobenzeneacetonitrile
o-Chlorobenzyl cyanide
Z56904744
(o-Chlorophenyl)acetonitrile
(2-Chlorophenyl)acetonitrile

MDL Number

MFCD00001898

Customs Code

29269095

FAQ

What is (2-Chlorophenyl)acetonitrile (CAS: 2856-63-5)?

(2-Chlorophenyl)acetonitrile is an organic compound with the chemical formula C8H7ClN. It features a nitrile group (-CN) attached to an acetyl chain, which is further connected to a 2-chlorophenyl ring. This compound is a chlorinated aromatic nitrile, known for its reactivity in organic synthesis and distinct chemical properties, including solubility in polar solvents and a characteristic aromatic odor.

What are the main uses of (2-Chlorophenyl)acetonitrile (CAS: 2856-63-5)?

(2-Chlorophenyl)acetonitrile is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. It finds applications in the development of medicinal compounds, industrial chemical processes, and research involving functional group transformations. Its utility stems from the versatility of the nitrile group in forming various derivatives, making it valuable in drug discovery and organic chemistry.

Is (2-Chlorophenyl)acetonitrile (CAS: 2856-63-5) safe?

Safety of (2-Chlorophenyl)acetonitrile depends on handling conditions. It may cause skin or eye irritation and is harmful if inhaled or ingested. Precautions include using gloves, goggles, and proper ventilation. Safety standards recommend adherence to OSHA guidelines and proper disposal protocols. Always consult a safety data sheet (SDS) for detailed handling instructions.

How should (2-Chlorophenyl)acetonitrile (CAS: 2856-63-5) be stored?

(2-Chlorophenyl)acetonitrile should be stored in a sealed, airtight container in a cool (below 25°C), dry, and dark environment to maintain stability. It is sensitive to moisture and light, so storage in a desiccator or under an inert atmosphere is advised. Ensure the container is labeled clearly and kept away from incompatible substances to prevent degradation.