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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6N2O2
Molecular Weight 162.1454
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-Nitrophenyl)acetonitrile

SMILES

[O-][N+](=O)C1=CC=C(CC#N)C=C1

InChI

InChIKey=PXNJGLAVKOXITN-UHFFFAOYSA-N
InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2

HIDE SMILES / InChI

Molecular Formula C8H6N2O2
Molecular Weight 162.1454
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 03:06:02 GMT 2023
Edited
by admin
on Sat Dec 16 03:06:02 GMT 2023
Record UNII
086Q9Q6WOT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-Nitrophenyl)acetonitrile
Systematic Name English
4-NITROBENZENEACETONITRILE
Systematic Name English
P-NITROBENZYL CYANIDE
Common Name English
4-NITROBENZYL CYANIDE
MI  
Systematic Name English
NSC-5396
Code English
4-NITROBENZYL CYANIDE [MI]
Common Name English
1-(4-NITROPHENYL)ACETONITRILE
Common Name English
ACETONITRILE, (P-NITROPHENYL)-
Common Name English
4-NITROBENZYL NITRILE
Common Name English
(P-NITROPHENYL)ACETONITRILE
Common Name English
4-NITROPHENYLACETONITRILE
Systematic Name English
P-NITROBENZENEACETONITRILE
Common Name English
P-NITRO-.ALPHA.-TOLUNITRILE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID3060297
Created by admin on Sat Dec 16 03:06:02 GMT 2023 , Edited by admin on Sat Dec 16 03:06:02 GMT 2023
PRIMARY
NSC
5396
Created by admin on Sat Dec 16 03:06:02 GMT 2023 , Edited by admin on Sat Dec 16 03:06:02 GMT 2023
PRIMARY
FDA UNII
086Q9Q6WOT
Created by admin on Sat Dec 16 03:06:02 GMT 2023 , Edited by admin on Sat Dec 16 03:06:02 GMT 2023
PRIMARY
CAS
555-21-5
Created by admin on Sat Dec 16 03:06:02 GMT 2023 , Edited by admin on Sat Dec 16 03:06:02 GMT 2023
PRIMARY
MERCK INDEX
m7948
Created by admin on Sat Dec 16 03:06:02 GMT 2023 , Edited by admin on Sat Dec 16 03:06:02 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
209-085-0
Created by admin on Sat Dec 16 03:06:02 GMT 2023 , Edited by admin on Sat Dec 16 03:06:02 GMT 2023
PRIMARY
PUBCHEM
68386
Created by admin on Sat Dec 16 03:06:02 GMT 2023 , Edited by admin on Sat Dec 16 03:06:02 GMT 2023
PRIMARY
Related Record Type Details
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