(4-Methylphenyl)acetonitrile

Basic Information

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CAS Number

2947-61-7

Molecular Formula

C9H9N

Molecular Weight

120.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

18 °C

Boiling Point

245°C

Refractive Index

n20/D 1.519(lit.)

SMILES

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CC1=CC=C(C=C1)CC#N

InChI

InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3

InChIKey

RNHKXHKUKJXLAU-UHFFFAOYSA-N

LogP

2.5574200000000005

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

134

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

Synonyms & References

English

AM20061229
p-Xylyl cyanide
p-Methylphenylacetonitrile
AC-16937
4-Methylbenzeneacetonitrile
a-Cyano-p-xylene
SCHEMBL247479
CS-W020586
F0001-0913
NS00028713
GS-3076
UNII-5LWN3C33SM
RNHKXHKUKJXLAU-UHFFFAOYSA-
4-Tolylacetonitrile
EINECS 220-963-2
2-(p-tolyl)-acetonitrile
Acetonitrile, p-tolyl-
Benzeneacetonitrile, 4-methyl-
p-Methylbenzyl cyanide
2947-61-7
AKOS000162057
DTXSID90183674
(4-methylphenyl)acetonitrile
2-p-tolylacetonitrile
Z285131444
4-Methylbenzyl cyanide
4-Methyl benzylcyanide
4-Methylphenyl-acetonitrile
4-Methylphenylacetonitrile
X0047
p-Tolylacetonitrile

MDL Number

MFCD00001922

Customs Code

29269095

FAQ

What is (4-Methylphenyl)acetonitrile (CAS: 2947-61-7)?

(4-Methylphenyl)acetonitrile is an organic compound with the chemical formula C9H11CN. It is a colorless to light yellow liquid with a distinctive aromatic odor. It is used in various applications including pharmaceuticals, dyes, and as a solvent in organic synthesis.

What are the main uses of (4-Methylphenyl)acetonitrile (CAS: 2947-61-7)?

(4-Methylphenyl)acetonitrile is primarily used in the synthesis of pharmaceuticals, dyes, and as a solvent in organic reactions. It is also utilized as an intermediate in the production of other organic compounds and in the formulation of certain chemical products.

Is (4-Methylphenyl)acetonitrile (CAS: 2947-61-7) safe?

(4-Methylphenyl)acetonitrile can be toxic if ingested or inhaled. It is important to handle it with appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure good ventilation during handling. Follow all safety guidelines and safety data sheet (SDS) recommendations for safe use.

How should (4-Methylphenyl)acetonitrile (CAS: 2947-61-7) be stored?

(4-Methylphenyl)acetonitrile should be stored in a cool, dry place away from direct sunlight. Store it in a tightly sealed container to prevent evaporation and contamination. Keep it away from heat and sources of ignition. Ensure the storage area is well-ventilated to avoid the formation of explosive mixtures with air.