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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
Isolation and characterization of a bacterium possessing a novel aldoxime-dehydration activity and nitrile-degrading enzymes.
1998 Aug
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
(n-Nitrophenyl)acetonitrile, with n = 2, 3 and 4.
2002 Aug
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
16-(4-Cyanobenzylidene)-17-oxoandrost-5-en-3beta-ol.
2003 Apr
Wings and legs are production sites for the desert locust courtship-inhibition pheromone, phenylacetonitrile.
2003 Dec
Odorous products of the chlorination of phenylalanine in water: formation, evolution, and quantification.
2004 Aug 1
Solvent-free condensation of phenylacetonitrile and nonanenitrile with 4-methoxybenzaldehyde: optimization and mechanistic studies.
2005 Apr 21
Flower vs. leaf feeding by Pieris brassicae: glucosinolate-rich flower tissues are preferred and sustain higher growth rate.
2007 Oct
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.
2008
(1-Acetyl-2,6-diphenyl-piperidin-4-yl-idene)(phen-yl)acetonitrile.
2008 Apr 4
Bis[3-allyl-1-(4-cyanobenzyl)-2-methylbenzimidazolium] di-μ-bromido-bis[bromidocuprate(I)].
2008 Aug 23
Dimethyl 1-(4-cyano-benz-yl)-1H-pyrazole-3,5-dicarboxyl-ate.
2009 Apr 30
Rhodium-catalyzed reductive cleavage of carbon-cyano bonds with hydrosilane: a catalytic protocol for removal of cyano groups.
2009 Mar 11
Anti-aphrodisiac compounds of male butterflies increase the risk of egg parasitoid attack by inducing plant synomone production.
2009 Nov
2,5-Diphenyl-penta-2,4-dienenitrile.
2009 Oct 31
Ochratoxin A and aflatoxins in liquorice products.
2010 Apr
Biocatalytic synthesis of (R)-(-)-mandelic acid from racemic mandelonitrile by cetyltrimethylammonium bromide-permeabilized cells of Alcaligenes faecalis ECU0401.
2010 Jul
2-[(2Z,3E)-2-Hy-droxy-imino-5-phenyl-2,3-dihydro-3-thienyl-idene]-2-phenyl-acetonitrile.
2010 Jul 7
Present or past herbivory: a screening of volatiles released from Brassica rapa under caterpillar attacks as attractants for the solitary parasitoid, Cotesia vestalis.
2010 Jun
Chemical ecology of obligate pollination mutualisms: testing the 'private channel' hypothesis in the Breynia-Epicephala association.
2010 Jun
Novel cross-stage solitarising effect of gregarious-phase adult desert locust (Schistocerca gregaria (Forskål)) pheromone on hoppers.
2010 Jun
Stereodivergent quaternization of 2-alkyl-2-p-tolylsulfinylacetonitriles: NMR spectroscopic evidence of planar and pyramidal benzylic carbanions.
2010 Jun 1
1,5-Dicyano-anthraquinone.
2010 Mar 6
Patents
Substance Class Chemical
Created
by admin
on Thu Jul 06 01:05:00 UTC 2023
Edited
by admin
on Thu Jul 06 01:05:00 UTC 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 Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
Code System Code Type Description
HSDB
2103
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
PUBCHEM
8794
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID2021492
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
MERCK INDEX
M2404
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
205-410-5
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
NSC
118418
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
MESH
C006725
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
CHEBI
25979
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
CAS
140-29-4
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
FDA UNII
23G40PRP93
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
WIKIPEDIA
BENZYL CYANIDE
Created by admin on Thu Jul 06 01:05:00 UTC 2023 , Edited by admin on Thu Jul 06 01:05:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT->PRECURSOR
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP