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
Mechanical activation of catalysts for C-C bond forming and anionic polymerization reactions from a single macromolecular reagent.	2010-11-24	21043506
High-affinity inhibitors of human NAD-dependent 15-hydroxyprostaglandin dehydrogenase: mechanisms of inhibition and structure-activity relationships.	2010-11-02	21072165
Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others.	2010-09	20860033
Identification of biologically relevant compounds in aboveground and belowground induced volatile blends.	2010-09	20737198
2-[(2Z,3E)-2-Hy-droxy-imino-5-phenyl-2,3-dihydro-3-thienyl-idene]-2-phenyl-acetonitrile.	2010-07-07	21588254
Biocatalytic synthesis of (R)-(-)-mandelic acid from racemic mandelonitrile by cetyltrimethylammonium bromide-permeabilized cells of Alcaligenes faecalis ECU0401.	2010-07	20411403
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.	2010-06-07	20469925
Stereodivergent quaternization of 2-alkyl-2-p-tolylsulfinylacetonitriles: NMR spectroscopic evidence of planar and pyramidal benzylic carbanions.	2010-06-01	20411540
Present or past herbivory: a screening of volatiles released from Brassica rapa under caterpillar attacks as attractants for the solitary parasitoid, Cotesia vestalis.	2010-06	20490899
Chemical ecology of obligate pollination mutualisms: testing the 'private channel' hypothesis in the Breynia-Epicephala association.	2010-06	20345644
Novel cross-stage solitarising effect of gregarious-phase adult desert locust (Schistocerca gregaria (Forskål)) pheromone on hoppers.	2010-06	20138053
Ochratoxin A and aflatoxins in liquorice products.	2010-04	22069608
1,5-Dicyano-anthraquinone.	2010-03-06	21580611
Anti-aphrodisiac compounds of male butterflies increase the risk of egg parasitoid attack by inducing plant synomone production.	2009-11	19949841
2,5-Diphenyl-penta-2,4-dienenitrile.	2009-10-31	21578526
Isolation of identical nitrilase genes from multiple bacterial strains and real-time PCR detection of the genes from soils provides evidence of horizontal gene transfer.	2009-10	19730817
Isocyanides inhibit human heme oxygenases at the verdoheme stage.	2009-09-22	19694439
Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.	2009-04-30	21583977
Rhodium-catalyzed reductive cleavage of carbon-cyano bonds with hydrosilane: a catalytic protocol for removal of cyano groups.	2009-03-11	19215138
Reductions of aliphatic and aromatic nitriles to primary amines with diisopropylaminoborane.	2009-03-06	19191712
A new synthetic route to 3-oxo-4-amino-1,2,3-oxadiazole from the diazeniumdiolation of benzyl cyanide: stable sydnone iminium N-oxides.	2009-02-20	19199666
Phenology of semiochemical-mediated host foraging by the western boxelder bug, Boisea rubrolineata, an aposematic seed predator.	2009-01	19123035
Chemical composition, allelopatic and cytotoxic effects of essential oils of flowering tops and leaves of Crambe orientalis L. from Iran.	2009	19662570
Utilization of arylaliphatic nitriles by haloalkaliphilic Halomonas nitrilicus sp. nov. isolated from soda soils.	2008-11	18795282
Bis[3-allyl-1-(4-cyanobenzyl)-2-methylbenzimidazolium] di-μ-bromido-bis[bromidocuprate(I)].	2008-08-23	21201637
Electronic and vibrational spectroscopic investigation of phenylacetylene-amine complexes. Evidence for the diversity in the intermolecular structures.	2008-05-15	18422294
Uniformly sized molecularly imprinted polymers for d-chlorpheniramine: influence of a porogen on their morphology and enantioselectivity.	2008-04-14	17644298
(1-Acetyl-2,6-diphenyl-piperidin-4-yl-idene)(phen-yl)acetonitrile.	2008-04-04	21202289
A new nitrilase from Bradyrhizobium japonicum USDA 110. Gene cloning, biochemical characterization and substrate specificity.	2008-02-01	18061298
Concentration-dependent parsimonious releaser roles of gregarious male pheromone of the desert locust, Schistocerca gregaria.	2008-01	17935732
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.	2008	19287539
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.	2007-12-31	17466572
Comparison of the volatile composition in thyme honeys from several origins in Greece.	2007-10-03	17824662
Flower vs. leaf feeding by Pieris brassicae: glucosinolate-rich flower tissues are preferred and sustain higher growth rate.	2007-10	17828429
Stereoselective quaternization of alpha-amino phenylacetonitriles mediated by a remote sulfinyl group.	2007-08-03	17629334
Construction of 3D models of the CYP11B family as a tool to predict ligand binding characteristics.	2007-08	17646925
Isolation and characterization of a nitrile hydrolysing acidotolerant black yeast-Exophiala oligosperma R1.	2007-06	17361431
Ozone degrades common herbivore-induced plant volatiles: does this affect herbivore prey location by predators and parasitoids?	2007-04	17333375
The discovery and mechanism of action of letrozole.	2007	17912633
Glycine conjugates in a lepidopteran insect herbivore--the metabolism of benzylglucosinolate in the cabbage white butterfly, Pieris rapae.	2006-12	17086559
Reactivity study of a hydroperoxodicopper(II) complex: hydroxylation, dehydrogenation, and ligand cross-link reactions.	2006-09-04	16933916
Purification and characterization of an enantioselective arylacetonitrilase from Pseudomonas putida.	2006-02	16341723
Solvent-free condensation of phenylacetonitrile and nonanenitrile with 4-methoxybenzaldehyde: optimization and mechanistic studies.	2005-04-21	15827653
Retentivity and enantioselectivity of uniformly-sized molecularly imprinted polymers for (S)-nilvadipine in aqueous and non-aqueous mobile phases.	2005-04	15844332
Regulation of aldoxime dehydratase activity by redox-dependent change in the coordination structure of the aldoxime-heme complex.	2005-02-18	15596434
Chemical communication: butterfly anti-aphrodisiac lures parasitic wasps.	2005-02-17	15716942
Derivative of alpha,beta-dicyanostilbene: convenient precursor for the synthesis of diphenylmaleimide compounds, E-Z isomerization, crystal structure, and solid-state fluorescence.	2004-09-17	15357608
Odorous products of the chlorination of phenylalanine in water: formation, evolution, and quantification.	2004-08-01	15352452
In vitro digestion of sinigrin and glucotropaeolin by single strains of Bifidobacterium and identification of the digestive products.	2004-03	14871576
Isolation and characterization of a bacterium possessing a novel aldoxime-dehydration activity and nitrile-degrading enzymes.	1998-08	9683644

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:52:55 GMT 2025` Edited by `admin` on `Mon Mar 31 18:52:55 GMT 2025`
Record UNII	23G40PRP93
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHENYLACETONITRILE

Systematic Name

English

BENZYL CYANIDE

Preferred Name

English

BENZYL CYANIDE [HSDB]

Common Name

English

TRIAMTERENE IMPURITY D [EP IMPURITY]

Common Name

English

NSC-118418

Code

English

BENZYL CYANIDE [MI]

Common Name

English

Classification Tree Code System Code

DEA NO.

8735