3,4-Dimethoxybenzeneacetonitrile
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3,4-Dimethoxybenzeneacetonitrile
structure -
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CAS No:
93-17-4
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Formula:
C10H11NO2
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Chemical Name:
3,4-Dimethoxybenzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,3,4-dimethoxy-;Acetonitrile,(3,4-dimethoxyphenyl)-;3,4-Dimethoxybenzeneacetonitrile;(3,4-Dimethoxyphenyl)acetonitrile;Homoveratronitrile;3,4-Dimethoxybenzyl cyanide;Veratryl cyanide;2-(3,4-Dimethoxyphenyl)acetonitrile;NSC 6324;3,4-Methyleneoxyphenyl acetonitrile
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CAS No:
3,4-Dimethoxybenzeneacetonitrile Basic Attributes
177.2
177.20
202-225-1
62C8S706SP
6324
DTXSID30239220
2926909090
Characteristics
42.2
1.2
White crystal
1.1±0.1 g/cm3
64-65 °C
171-178 °C @ Press: 10 Torr
116.6±16.4 °C
1.512
insoluble
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
I; II; III
6.1
3276
3
R22;R23/24/25
S36/37-S45-S22
AL9325000
T:Toxic;Xn:Harmful;
Stable under normal temperatures and pressures.
P264, P270, P301+P310, P301+P312, P321, P330, P405, P501
H302
|Danger|H301 (48.68%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P301+P312, P321, P330, P405, and P501|Aggregated GHS information provided by 189 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4-Dimethoxybenzeneacetonitrile Use and Manufacturing
An Impurity of Verapamil (V125000). An intermediate in the preparation of the muscle relaxant Papverine (P190500).
Computed Properties
Molecular Weight:177.20
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:177.078978594
Monoisotopic Mass:177.078978594
Topological Polar Surface Area:42.2
Heavy Atom Count:13
Complexity:196
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,4-Dimethoxybenzeneacetonitrile
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