PHENYLACETONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7N
Molecular Weight	117.1479
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N#CCC1=CC=CC=C1

InChI

InChIKey=SUSQOBVLVYHIEX-UHFFFAOYSA-N

InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2

HIDE SMILES / InChI

Molecular Formula	C8H7N
Molecular Weight	117.1479
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Isolation and characterization of a bacterium possessing a novel aldoxime-dehydration activity and nitrile-degrading enzymes.	1998 Aug	9683644
Novel heme-containing lyase, phenylacetaldoxime dehydratase from Bacillus sp. strain OxB-1: purification, characterization, and molecular cloning of the gene.	2000 Feb 1	10651646
Urinary thiocyanate levels as a biomarker for the generation of inorganic cyanide from benzyl cyanide in the rat.	2001 Feb	11267707
Juvenile-hormone-mediated plasticity of aggregation behaviour and olfactory processing in adult desert locusts.	2001 Jan	11136611
Molecular characterisation of organic material in air fine particles (PM10) using conventional and reactive pyrolysis-gas chromatography-mass spectrometry.	2002 Apr	11993758
(n-Nitrophenyl)acetonitrile, with n = 2, 3 and 4.	2002 Aug	12154320
Structural and vibrational characterization of the mono and dilithiated species derived from phenylacetonitrile in THF by infrared and Raman spectroscopy and density functional theory calculations.	2002 Jul	12164496
16-(4-Cyanobenzylidene)-3 beta-pyrrolidinoandrost-5-en-17 beta-ol monohydrate.	2002 Jul	12094064
4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile.	2002 Mar	11870314
A comprehensive investigation of the chemistry and basicity of a parent amidoruthenium complex.	2002 May 1	11971722
LC-MS/MS determination of a farnesyl transferase inhibitor in human plasma and urine.	2002 Nov 7	12408906
Composition of the essential oil of Lepidium meyenii (Walp).	2002 Sep	12169308
A ring walk of methylene groups in toluene radical cations. An extension of the toluene-cycloheptatriene rearrangement of aromatic radical cations. Theory and experiment.	2003	12939485
16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3beta-ol.	2003 Apr	12682413
Ultrasound promoted C-alkylation of benzyl cyanide--effect of reactor and ultrasound parameters.	2003 Jul	12818393
Antiaphrodisiacs in pierid butterflies: a theme with variation!	2003 Jun	12918930
Improved reagent for electrophilic amination of stabilized carbanions.	2003 Oct 30	14572281
Glycine conjugates in a lepidopteran insect herbivore--the metabolism of benzylglucosinolate in the cabbage white butterfly, Pieris rapae.	2006 Dec	17086559
Reactivity study of a hydroperoxodicopper(II) complex: hydroxylation, dehydrogenation, and ligand cross-link reactions.	2006 Sep 4	16933916
The discovery and mechanism of action of letrozole.	2007	17912633
Ozone degrades common herbivore-induced plant volatiles: does this affect herbivore prey location by predators and parasitoids?	2007 Apr	17333375
Identification of the monoanions and of their complexes with lithium salts possibly formed in solution during the alkylation of lithiated phenylacetonitrile dianions: infrared spectroscopy and density functional theory calculations.	2007 Dec 31	17466572
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.	2008	19287539
Uniformly sized molecularly imprinted polymers for d-chlorpheniramine: influence of a porogen on their morphology and enantioselectivity.	2008 Apr 14	17644298
(1-Acetyl-2,6-diphenyl-piperidin-4-yl-idene)(phen-yl)acetonitrile.	2008 Apr 4	21202289
Bis[3-allyl-1-(4-cyanobenzyl)-2-methylbenzimidazolium] di-μ-bromido-bis[bromidocuprate(I)].	2008 Aug 23	21201637
Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.	2009 Apr 30	21583977
A new synthetic route to 3-oxo-4-amino-1,2,3-oxadiazole from the diazeniumdiolation of benzyl cyanide: stable sydnone iminium N-oxides.	2009 Feb 20	19199666
Phenology of semiochemical-mediated host foraging by the western boxelder bug, Boisea rubrolineata, an aposematic seed predator.	2009 Jan	19123035
Rhodium-catalyzed reductive cleavage of carbon-cyano bonds with hydrosilane: a catalytic protocol for removal of cyano groups.	2009 Mar 11	19215138
Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane.	2009 Mar 6	19191712
Anti-aphrodisiac compounds of male butterflies increase the risk of egg parasitoid attack by inducing plant synomone production.	2009 Nov	19949841
2,5-Diphenyl-penta-2,4-dienenitrile.	2009 Oct 31	21578526
Ochratoxin A and aflatoxins in liquorice products.	2010 Apr	22069608
2-[(2Z,3E)-2-Hy-droxy-imino-5-phenyl-2,3-dihydro-3-thienyl-idene]-2-phenyl-acetonitrile.	2010 Jul 7	21588254
Synthesis, characterization, photophysical, and anion-binding studies of luminescent heteroleptic bis-tridentate ruthenium(II) complexes based on 2,6-bis(benzimidazole-2-yl)pyridine and 4'-substituted 2,2':6',2'' terpyridine derivatives.	2010 Jun 7	20469925
1,5-Dicyano-anthraquinone.	2010 Mar 6	21580611
High-affinity inhibitors of human NAD-dependent 15-hydroxyprostaglandin dehydrogenase: mechanisms of inhibition and structure-activity relationships.	2010 Nov 2	21072165
Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others.	2010 Sep	20860033

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:47:28 UTC 2023` Edited by `admin` on `Fri Dec 15 17:47:28 UTC 2023`
Record UNII	23G40PRP93
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENYLACETONITRILE

Systematic Name

English

BENZYL CYANIDE [HSDB]

Common Name

English

TRIAMTERENE IMPURITY D [EP IMPURITY]

Common Name

English

BENZYL CYANIDE

Systematic Name

English

NSC-118418

Code

English

BENZYL CYANIDE [MI]

Common Name

English

Classification Tree Code System Code

DEA NO.

8735