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Home > Encyclopedia > α,α-Dimethylbenzeneacetonitrile

α,α-Dimethylbenzeneacetonitrile

α,α-Dimethylbenzeneacetonitrile structure

α,α-Dimethylbenzeneacetonitrile 

structure
  • CAS No:

    1195-98-8

  • Formula:

    C10H11N

  • Chemical Name:

    α,α-Dimethylbenzeneacetonitrile

  • Synonyms:

    Benzeneacetonitrile,α,α-dimethyl-;Hydratroponitrile,α-methyl-;α,α-Dimethylbenzeneacetonitrile;α-Phenylisobutyronitrile;α-Phenyl-α-methylpropionitrile;2-Methyl-2-phenylpropionitrile;Dimethylphenylacetonitrile;α,α-Dimethylbenzyl cyanide;2-Phenylisobutyronitrile;2-Methyl-2-phenylpropanenitrile

α,α-Dimethylbenzeneacetonitrile Basic Attributes

145.205

145.20

601-624-1

DTXSID80383929

2926909090

Characteristics

23.8

2.48778

0.971±0.06 g/cm3(Predicted)

114-116 °C @ Press: 20 Torr

101.4ºC

1.507

H2O: Practically insoluble (0.07 g/L) (25 ºC)

Safety Information

IRRITANT

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:145.20
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:145.089149355
Monoisotopic Mass:145.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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