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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 P-TOLUNITRILE

SMILES

CC1=CC=C(C=C1)C#N

InChI

InChIKey=VCZNNAKNUVJVGX-UHFFFAOYSA-N
InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3

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
Structure-based design and synthesis of potent, ethylenediamine-based, mammalian farnesyltransferase inhibitors as anticancer agents.
2010-10-14
Naphthyl methacrylate-based monolithic column for RP-CEC via hydrophobic and pi interactions.
2010-03
Reactions of the CN radical with benzene and toluene: product detection and low-temperature kinetics.
2010-02-04
Probing the mechanism of electron capture and electron transfer dissociation using tags with variable electron affinity.
2009-04-22
2-p-Tolyl-4,5-dihydro-1H-imidazole.
2009-03-11
Optimized quantum mechanics/molecular mechanics strategies for nitrile vibrational probes: acetonitrile and para-tolunitrile in water and tetrahydrofuran.
2008-11-06
Characterisation of the substrate specificity of the nitrile hydrolyzing system of the acidotolerant black yeast Exophiala oligosperma R1.
2008
Efficient nickel mediated carbon-carbon bond cleavage of organonitriles.
2007-05-28
The butterfly dimer [(tBu3SiO)Cr]2(mu-OSitBu3)2 and its oxidative cleavage to (tBu3SiO)2Cr(=N-N=CPh2)2 and (tBu3SiO)2Cr=N(2,6-Ph2-C6H3).
2006-03-06
Syntheses, crystal structures, and luminescent properties of three novel zinc coordination polymers with tetrazolyl ligands.
2005-07-25
Synthesis of macrocycles via cobalt-mediated [2 + 2 + 2] cycloadditions.
2005-03-16
Multinuclear calixarene synthons with covalently linked aryl-palladium(II) complexes.
2004-09-17
Selective oxygenation of ring-substituted toluenes with electron-donating and -withdrawing substituents by molecular oxygen via photoinduced electron transfer.
2003-10-22
Oxidation of substituted toluenes with molecular oxygen in the presence of N,N',N' '-trihydroxyisocyanuric acid as a key catalyst.
2003-08-22
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:06:27 GMT 2025
Edited
by admin
on Mon Mar 31 19:06:27 GMT 2025
Record UNII
H20555V8NO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-70985
Preferred Name English
P-TOLUNITRILE
MI  
Common Name English
TOLUNITRILE, P-
Common Name English
CYANOTOLUENE, P-
Common Name English
P-TOLUNITRILE [MI]
Common Name English
Code System Code Type Description
CAS
104-85-8
Created by admin on Mon Mar 31 19:06:27 GMT 2025 , Edited by admin on Mon Mar 31 19:06:27 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-244-8
Created by admin on Mon Mar 31 19:06:27 GMT 2025 , Edited by admin on Mon Mar 31 19:06:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID6026169
Created by admin on Mon Mar 31 19:06:27 GMT 2025 , Edited by admin on Mon Mar 31 19:06:27 GMT 2025
PRIMARY
MERCK INDEX
m10968
Created by admin on Mon Mar 31 19:06:27 GMT 2025 , Edited by admin on Mon Mar 31 19:06:27 GMT 2025
PRIMARY Merck Index
NSC
70985
Created by admin on Mon Mar 31 19:06:27 GMT 2025 , Edited by admin on Mon Mar 31 19:06:27 GMT 2025
PRIMARY
PUBCHEM
7724
Created by admin on Mon Mar 31 19:06:27 GMT 2025 , Edited by admin on Mon Mar 31 19:06:27 GMT 2025
PRIMARY
FDA UNII
H20555V8NO
Created by admin on Mon Mar 31 19:06:27 GMT 2025 , Edited by admin on Mon Mar 31 19:06:27 GMT 2025
PRIMARY