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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

Unknown
139594
PubMed

PubMed

TitleDatePubMed
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
Selective mono-C-methylations of arylacetonitriles and arylacetates with dimethylcarbonate: a mechanistic investigation.
2002 Feb 22
16-(4-Cyanobenzylidene)-3 beta-pyrrolidinoandrost-5-en-17 beta-ol monohydrate.
2002 Jul
LC-MS/MS determination of a farnesyl transferase inhibitor in human plasma and urine.
2002 Nov 7
Improved reagent for electrophilic amination of stabilized carbanions.
2003 Oct 30
Retentivity and enantioselectivity of uniformly-sized molecularly imprinted polymers for (S)-nilvadipine in aqueous and non-aqueous mobile phases.
2005 Apr
Solvent-free condensation of phenylacetonitrile and nonanenitrile with 4-methoxybenzaldehyde: optimization and mechanistic studies.
2005 Apr 21
Ozone degrades common herbivore-induced plant volatiles: does this affect herbivore prey location by predators and parasitoids?
2007 Apr
Chemical composition, allelopatic and cytotoxic effects of essential oils of flowering tops and leaves of Crambe orientalis L. from Iran.
2009
Anti-aphrodisiac compounds of male butterflies increase the risk of egg parasitoid attack by inducing plant synomone production.
2009 Nov
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
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
Novel cross-stage solitarising effect of gregarious-phase adult desert locust (Schistocerca gregaria (Forskål)) pheromone on hoppers.
2010 Jun
Patents

Patents

03940402
5
04116997
1
04127720
1
04697012
2
04737504
1
04748276
4
04824476
1
05025031
25
05627189
1
05646170
4
05945535
1
06319928
1
06699873
1
06787541
3
07153958
1
07375125
1
07410992
1
07494986
1
08247434
1
08377970
2
08426596
1
08637525
1
08772541
4
JP2001302658A
1
JP2003146961A
1
JP2004189742A
1
JP2007511476A
7
JPH0217164A
1
JPH07285938A
1
JPH07304719A
1
JPH0892202A
1
JPH11263766A
1
JPS5559157A
1
JPS57185234A
1
JPS59152358A
1
JPS5951251A
1
JPS6036466A
1
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
Structure of PHENYLACETONE
IMPURITY -> PARENT
Structure of TRIAMTERENE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (GC)
EP
NIH
NCATS
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