Butylphenylacetonitrile
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Butylphenylacetonitrile
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CAS No:
3508-98-3
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Formula:
C12H15N
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Chemical Name:
Butylphenylacetonitrile
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Synonyms:
Benzeneacetonitrile,α-butyl-;Hexanenitrile,2-phenyl-;α-Butylbenzeneacetonitrile;Butylphenylacetonitrile;α-Phenylcaprononitrile;2-Phenylhexanonitrile;2-Phenylcapronitrile;1-Cyano-1-phenylpentane;2-Phenylhexanenitrile;NSC 41712;90355-13-8
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CAS No:
Safety Information
R22
23-60-61
Xn: Harmful;N: Dangerous for the environment;
P264, P270, P273, P301+P312, P330, P391, P501
H302
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P301+P312, P330, P391, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|Aggregated GHS information provided by 249 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Butylphenylacetonitrile Use and Manufacturing
Benzeneacetonitrile, .alpha.-butyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:173.25
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:173.120449483
Monoisotopic Mass:173.120449483
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:171
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes