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Home > Encyclopedia > 4-METHYLBENZOYLACETONITRILE

4-METHYLBENZOYLACETONITRILE

4-METHYLBENZOYLACETONITRILE structure

4-METHYLBENZOYLACETONITRILE 

structure
  • CAS No:

    7391-28-8

  • Formula:

    C10H9NO

  • Chemical Name:

    4-METHYLBENZOYLACETONITRILE

  • Synonyms:

    4-Methylbenzoylacetonitrile;3-(4-Methylphenyl)-3-oxopropanenitrile;4-Toluoylacetonitrile;3-Oxo-3-(p-tolyl)propanenitrile;p-Toluoylacetonitrile;3-oxo-3-p-tolylpropanenitrile;3-(4-Methylphenyl)-3-oxopropionitrile;ACMC-20amdj;PubChem12072;Maybridge1_004714

Description

light beige needle-like powder

4-METHYLBENZOYLACETONITRILE Basic Attributes

159.188

159.068420

DTXSID60334974

2926909090

Characteristics

40.9

1.43

1.1±0.1 g/cm3

105-108 °C(lit.)

318.2±25.0 °C at 760 mmHg

146.2±23.2 °C

1.533

Safety Information

III

6.1

3276

3

R20/21/22

S26-S36/37/39

Xn:Harmful;

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:159.18
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:159.068413911
Monoisotopic Mass:159.068413911
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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