2-(4-Nitrophenyl)acetonitrile

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

Structure Search

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

Title	Date	PubMed
5-(4-Nitro-benz-yl)-1H-1,2,3,4-tetra-zole.	2010-10-31	21589154
trans-3-(3,4-Dimeth-oxy-phen-yl)-2-(4-nitro-phen-yl)prop-2-ene-nitrile.	2010-06-23	21587950
4-(Cyano-meth-yl)anilinium 4-methyl-benzene-sulfonate monohydrate.	2010-06-05	21587801
6,8-Di-tert-butyl-3-(4-nitro-phen-yl)-2H-chromen-2-one.	2010-01-30	21579887
(n-Nitrophenyl)acetonitrile, with n = 2, 3 and 4.	2002-08	12154320

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:16:42 GMT 2025` Edited by `admin` on `Mon Mar 31 21:16:42 GMT 2025`
Record UNII	086Q9Q6WOT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(4-Nitrophenyl)acetonitrile

Systematic Name

English

4-NITROBENZYL CYANIDE

Preferred Name

English

4-NITROBENZENEACETONITRILE

Systematic Name

English

P-NITROBENZYL CYANIDE

Common 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