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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 of PHENYLACETONITRILE

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

PubMed

TitleDatePubMed
Mechanistic and structural studies on Rhodococcus ATCC 39484 nitrilase.
1992 Jun
Boundary conditions on the partitioning of deaminatively generated benzyl cations.
2001 Apr 20
An assessment of the release of inorganic cyanide from the fragrance materials benzyl cyanide, geranyl nitrile and citronellyl nitrile applied dermally to the rat.
2001 Feb
Urinary thiocyanate levels as a biomarker for the generation of inorganic cyanide from benzyl cyanide in the rat.
2001 Feb
Juvenile-hormone-mediated plasticity of aggregation behaviour and olfactory processing in adult desert locusts.
2001 Jan
Benzyl isothiocyanate is the chief or sole anthelmintic in papaya seed extracts.
2001 Jun
Molecular characterisation of organic material in air fine particles (PM10) using conventional and reactive pyrolysis-gas chromatography-mass spectrometry.
2002 Apr
(n-Nitrophenyl)acetonitrile, with n = 2, 3 and 4.
2002 Aug
Selective mono-C-methylations of arylacetonitriles and arylacetates with dimethylcarbonate: a mechanistic investigation.
2002 Feb 22
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
4-(3,17-Dioxoandrost-4-en-16-ylidenemethyl)benzonitrile.
2002 Mar
A comprehensive investigation of the chemistry and basicity of a parent amidoruthenium complex.
2002 May 1
Thermodynamics, kinetics, and dynamics of the two alternative aniomesolytic fragmentations of C-O bonds: an electrochemical and theoretical study.
2002 May 1
Flash vacuum pyrolysis over solid catalysts. 2. pyrazoles over hydrotalcites.
2002 Nov 15
LC-MS/MS determination of a farnesyl transferase inhibitor in human plasma and urine.
2002 Nov 7
Composition of the essential oil of Lepidium meyenii (Walp).
2002 Sep
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
16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3beta-ol.
2003 Apr
Fluoride-induced chemiluminescent decomposition of 1,2-dioxetanes bearing a phenyl moiety substituted with a methyl having an electron-withdrawing group.
2003 Feb 21
Ultrasound promoted C-alkylation of benzyl cyanide--effect of reactor and ultrasound parameters.
2003 Jul
Antiaphrodisiacs in pierid butterflies: a theme with variation!
2003 Jun
Improved reagent for electrophilic amination of stabilized carbanions.
2003 Oct 30
Chemical communication: butterfly anti-aphrodisiac lures parasitic wasps.
2005 Feb 17
Regulation of aldoxime dehydratase activity by redox-dependent change in the coordination structure of the aldoxime-heme complex.
2005 Feb 18
Construction of 3D models of the CYP11B family as a tool to predict ligand binding characteristics.
2007 Aug
Stereoselective quaternization of alpha-amino phenylacetonitriles mediated by a remote sulfinyl group.
2007 Aug 3
Comparison of the volatile composition in thyme honeys from several origins in Greece.
2007 Oct 3
Uniformly sized molecularly imprinted polymers for d-chlorpheniramine: influence of a porogen on their morphology and enantioselectivity.
2008 Apr 14
A new nitrilase from Bradyrhizobium japonicum USDA 110. Gene cloning, biochemical characterization and substrate specificity.
2008 Feb 1
Concentration-dependent parsimonious releaser roles of gregarious male pheromone of the desert locust, Schistocerca gregaria.
2008 Jan
Electronic and vibrational spectroscopic investigation of phenylacetylene-amine complexes. Evidence for the diversity in the intermolecular structures.
2008 May 15
Utilization of arylaliphatic nitriles by haloalkaliphilic Halomonas nitrilicus sp. nov. isolated from soda soils.
2008 Nov
Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.
2009 Apr 30
Phenology of semiochemical-mediated host foraging by the western boxelder bug, Boisea rubrolineata, an aposematic seed predator.
2009 Jan
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 Oct
Isocyanides inhibit human heme oxygenases at the verdoheme stage.
2009 Sep 22
Biocatalytic synthesis of (R)-(-)-mandelic acid from racemic mandelonitrile by cetyltrimethylammonium bromide-permeabilized cells of Alcaligenes faecalis ECU0401.
2010 Jul
Chemical ecology of obligate pollination mutualisms: testing the 'private channel' hypothesis in the Breynia-Epicephala association.
2010 Jun
Mechanical activation of catalysts for C-C bond forming and anionic polymerization reactions from a single macromolecular reagent.
2010 Nov 24
Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others.
2010 Sep
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:47:28 GMT 2023
Edited
by admin
on Fri Dec 15 17:47:28 GMT 2023
Record UNII
23G40PRP93
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYLACETONITRILE
Systematic Name English
BENZYL CYANIDE [HSDB]
Common Name English
TRIAMTERENE IMPURITY D [EP IMPURITY]
Common Name English
BENZYL CYANIDE
HSDB   MI  
Systematic Name English
NSC-118418
Code English
BENZYL CYANIDE [MI]
Common Name English
Classification Tree Code System Code
DEA NO. 8735
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
Code System Code Type Description
HSDB
2103
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
PUBCHEM
8794
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID2021492
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
MERCK INDEX
m2404
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
205-410-5
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
NSC
118418
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
MESH
C006725
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
CHEBI
25979
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
CAS
140-29-4
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
FDA UNII
23G40PRP93
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
WIKIPEDIA
BENZYL CYANIDE
Created by admin on Fri Dec 15 17:47:28 GMT 2023 , Edited by admin on Fri Dec 15 17:47:28 GMT 2023
PRIMARY
Related Record Type Details
IMPURITY -> PARENT
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP