3-Methylbenzoylacetonitrile Chemical Properties

Melting point:

73 °C

Boiling point:

318.6±25.0 °C(Predicted)

Density 

1.081±0.06 g/cm3(Predicted)

storage temp. 

2-8°C

form 

solid

pka

7.84±0.10(Predicted)

Appearance

White to light yellow Solid

BRN 

2717335

InChI

1S/C10H9NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7H,5H2,1H3

InChIKey

IVLKDYOTZMFMLO-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

53882-81-8(CAS DataBase Reference)

NIST Chemistry Reference

3-Toluoylacetonitrile(53882-81-8)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22-36/37/38-22

Safety Statements 

26-36/37/39

RIDADR 

3439

WGK Germany 

WGK 3

HazardClass 

6.1

PackingGroup 

III

HS Code 

2926907090

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral

MSDS

• Language:English Provider:ALFA

3-Methylbenzoylacetonitrile(53882-81-8)Related Product Information

• Benzoylacetonitrile
• Phenylmethylsulfonyl fluoride
• (3-Methoxyphenyl)acetonitrile
• Benzoyl peroxide
• cyanoacetaldehyde
• Dibenzoyltartaric acid
• 3-Cyano-6-isopropylchromone
• 3-(TRIFLUOROMETHYL)BENZOYLACETONITRILE
• 3-CYANO-6-METHYLCHROMONE
• 4-METHYLBENZOYLACETONITRILE
• Acetonitrile
• 3,4-DIMETHYLBENZOYLACETONITRILE
• 3,5-Trifluromethylbenzoylacetonitrile
• 6-ETHYL-4-OXO-4H-1-BENZOPYRAN-3-CARBO-NI TRILE, 99
• 3,5-DIMETHYL-4-METHOXYBENZOYLACETONITRILE
• 2,5-DIMETHYLBENZOYLACETONITRILE
• 2-[(DIMETHYLAMINO)METHYLENE]-3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPANENITRILE
• 3,5-DIMETHYLBENZOYLACETONITRILE