(4-Methoxyphenyl)acetonitrile
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(4-Methoxyphenyl)acetonitrile
structure -
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CAS No:
104-47-2
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Formula:
C9H9NO
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Chemical Name:
(4-Methoxyphenyl)acetonitrile
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Synonyms:
Benzeneacetonitrile,4-methoxy-;Acetonitrile,(p-methoxyphenyl)-;4-Methoxybenzeneacetonitrile;p-Methoxybenzyl cyanide;(p-Methoxyphenyl)acetonitrile;p-Methoxybenzeneacetonitrile;(4-Methoxyphenyl)acetonitrile;p-Anisylacetonitrile;4-Methoxybenzyl cyanide;NSC 96;p-Methoxybenzylnitrile;2-(4-Methoxyphenyl)acetonitrile;PAI 106;1-(Cyanomethyl)-4-methoxybenzene
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CAS No:
Description
4-Methoxyphenylacetonitrile is used in the biosynthesis of p-methoxyphenylacetic acid by immobilized Bacillus subtilis ZJB-063.
(4-Methoxyphenyl)acetonitrile Basic Attributes
147.17
147.17
509162
203-206-0
96
DTXSID0051526
29269095
Characteristics
33
1.6
Clear colorless to slightly yellow Liquid
1.1±0.1 g/cm3
8 °C
286.5 °C
>230 °F
1.519
Store below +30°C.
0.00263mmHg at 25°C
1.2-9.4%(V)
Safety Information
Ⅲ
6.1
UN 3276 6.1/PG 3
3
20/21/22-36/37/38-52/53-25
26-37/39-36/37-61-45-36
AM0810000
Xn,T,Xi
P301 + P310
H301
UN 3276 6.1/PG 3
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 50 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(4-Methoxyphenyl)acetonitrile Use and Manufacturing
Prepared by p-methoxychlorobenzyl nitration.
4-Methoxyphenylacetonitrile is used in the biosynthesis of p-methoxyphenylacetic acid by immobilized Bacillus subtilis ZJB-063.
Benzeneacetonitrile, 4-methoxy-: ACTIVE
Computed Properties
Molecular Weight:147.17
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:33
Heavy Atom Count:11
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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