(3-Cyanomethyl-5-methylphenyl)acetonitrile
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(3-Cyanomethyl-5-methylphenyl)acetonitrile
structure -
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CAS No:
120511-74-2
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Formula:
C11H10N2
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Chemical Name:
(3-Cyanomethyl-5-methylphenyl)acetonitrile
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Synonyms:
1,3-Benzenediacetonitrile,5-methyl-;5-Methyl-1,3-benzenediacetonitrile;5-Methylbenzene-1,3-diacetonitrile;(3-Cyanomethyl-5-methylphenyl)acetonitrile
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CAS No:
Characteristics
47.58000
1.14
White solid
1.1±0.1 g/cm3
73 °C
224-225 °C @ Press: 14 Torr
164.5±19.0 °C
1.545
0mmHg at 25°C
Safety Information
P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, P501
H301
|Danger|H301+H311+H331 (25%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P272, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:170.21
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:170.084398327
Monoisotopic Mass:170.084398327
Topological Polar Surface Area:47.6
Heavy Atom Count:13
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3-Cyanomethyl-5-methylphenyl)acetonitrile
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