(3-Chlorophenyl)acetonitrile

Basic Information

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CAS Number

1529-41-5

Molecular Formula

C8H6ClN

Molecular Weight

151.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

11-13 °C

Boiling Point

135°C/9.8mmHg

Refractive Index

n20/D 1.544(lit.)

SMILES

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

InChI

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

InChIKey

GTIKLPYCSAMPNG-UHFFFAOYSA-N

LogP

2.40608

Complexity

147

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents.

Synonyms & References

English

A809364
W-108046
3-chloro-phenylacetonitrile
m-chlorophenylacetonitrile
MFCD00001908
3-(Chlorophenyl)acetonitrile
DTXSID10165154
GTIKLPYCSAMPNG-UHFFFAOYSA-
AKOS000119501
3-Chlorobenzylcyanide
2-(3-chlorophenyl)acetonitrile
AS-11852
EN300-17798
3-Chlorobenzyl cyanide
SCHEMBL37581
P8K3M9GKQ5
BRN 2042965
AM20050093
BENZENEACETONITRILE, 3-CHLORO-
UNII-P8K3M9GKQ5
AC-4375
EINECS 216-213-9
InChI=1/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2
Acetonitrile, (m-chlorophenyl)-
(3-Chlorophenyl)acetonitrile
(m-Chlorophenyl)acetonitrile
1529-41-5
3-chloro-benzeneacetonitrile
2-(3-chlorophenyl) acetonitrile
3-Chlorobenzeneacetonitrile
C1091

MDL Number

MFCD00001908

Customs Code

2926909090

FAQ

What is (3-Chlorophenyl)acetonitrile (CAS: 1529-41-5)?

(3-Chlorophenyl)acetonitrile, with the CAS number 1529-41-5, is an organic compound containing a nitrile group attached to a 3-chlorophenyl ring. It is a colorless liquid with a characteristic aromatic odor and is commonly used in chemical synthesis. Its chemical formula is C8H7ClN, and it exhibits moderate solubility in organic solvents.

What are the main uses of (3-Chlorophenyl)acetonitrile (CAS: 1529-41-5)?

(3-Chlorophenyl)acetonitrile is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It also finds applications in research settings for developing new compounds and in industrial processes for organic chemical manufacturing. Due to its reactivity, it is often utilized in functional group transformations and coupling reactions.

Is (3-Chlorophenyl)acetonitrile (CAS: 1529-41-5) safe?

While (3-Chlorophenyl)acetonitrile is generally considered safe when handled properly, it can pose health risks if inhaled, ingested, or absorbed through the skin. Precautions include using personal protective equipment (PPE), ensuring proper ventilation, and following safety guidelines for chemical handling. It is classified as a potential irritant and should be managed in accordance with OSHA and other safety standards.

How should (3-Chlorophenyl)acetonitrile (CAS: 1529-41-5) be stored?

(3-Chlorophenyl)acetonitrile should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container made of glass or stainless steel to prevent contamination. Storage conditions should maintain a temperature below 25°C and avoid exposure to air or humidity to ensure stability and prolong shelf life.