Oxo(phenyl)acetonitrile

Basic Information

View in Editor

CAS Number

613-90-1

Molecular Formula

C8H5NO

Molecular Weight

131.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

28-31 °C

Boiling Point

206 °C

Density

1.106 g/mL at 25 °C

Refractive Index

1.4700 (estimate)

SMILES

View in Editor

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

InChI

InChI=1S/C8H5NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H

InChIKey

GJQBHOAJJGIPRH-UHFFFAOYSA-N

LogP

1.39288

Complexity

171

Safety Information

View Safety Information

GHS Hazard Pictograms

H300

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

AKOS009156479
2-oxo-2-phenylacetonitrile
Phenyl glyoxonitrile; Phenylglyoxalic acid
2-(OXO)-2-(PHENYL)ACETONITRILE
Oxo(phenyl)acetonitrile
BP-13276
Q15632897
Phenylglyoxylonitrile
alpha-Oxobenzeneacetonitrile
Benzeneacetonitrile, .alpha.-oxo-
PHENYLGLYOXALIC ACID NITRILE
NSC120506
alpha-oxo-alpha-tolunitrile
9R5O6C18O8
NSC-120506
SCHEMBL158535
.alpha.-Tolunitrile, .alpha.-oxo-
D88699
MFCD00001837
EINECS 210-359-7
alpha-Tolunitrile, alpha-oxo-
PHENYL GLYOXONITRILE
GJQBHOAJJGIPRH-UHFFFAOYSA-
NSC401920
FT-0622742
A833197
Benzoylcyanide
CHEBI:51853
Benzoyl nitrile
EN300-36184
NS00034672

MDL Number

MFCD00001837

Customs Code

29269095

FAQ

What are the physical and chemical properties of Oxo(phenyl)acetonitrile (CAS: 613-90-1)?

Oxo(phenyl)acetonitrile (CAS: 613-90-1) is a colorless to light yellow liquid with a molecular weight of approximately 138.16 g/mol. It has a boiling point of 117-118°C and a melting point of -37 to -36°C. It is slightly soluble in water but miscible with most organic solvents. It is an electrophilic reagent and can react with nucleophiles like amines and alcohols.

How is Oxo(phenyl)acetonitrile (CAS: 613-90-1) typically synthesized?

Oxo(phenyl)acetonitrile is typically synthesized by the reaction of phenylacetonitrile with an oxidizing agent like potassium permanganate or chromic acid. The process involves oxidation of the primary amine group to form the oxo group, yielding the desired product with high selectivity and good yield.

What industries use Oxo(phenyl)acetonitrile (CAS: 613-90-1)?

Oxo(phenyl)acetonitrile (CAS: 613-90-1) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds. It also finds applications in the polymer industry for the development of new materials and in the semiconductor industry for the production of certain chemical vapor deposition precursors.

What precautions should be taken when handling Oxo(phenyl)acetonitrile (CAS: 613-90-1)?

When handling Oxo(phenyl)acetonitrile (CAS: 613-90-1), it is important to wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. It should be stored in a well-ventilated area away from heat and ignition sources. In case of spill, it should be handled using appropriate spill kits and the Material Safety Data Sheet (MSDS) should be consulted for detailed instructions.