O-CHLORONITROBENZENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H4ClNO2
Molecular Weight	157.554
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BFCFYVKQTRLZHA-UHFFFAOYSA-N

InChI=1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

HIDE SMILES / InChI

Molecular Formula	C6H4ClNO2
Molecular Weight	157.554
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
Identification of DNA adducts using HPLC/MS/MS following in vitro and in vivo experiments with arylamines and nitroarenes.	2003 Oct	14565767
Selective adsorption of p-chloronitrobenzene from aqueous mixture of p-chloronitrobenzene and o-chloronitrobenzene using HZSM-5 zeolite.	2005 Mar	15766972
Hydrogenation of ortho-nitrochlorobenzene on activated carbon supported platinum catalysts.	2005 May	15822151
Two-year feed study of carcinogenicity and chronic toxicity of ortho-chloronitrobenzene in rats and mice.	2006 Aug	16960435
Thirteen-week oral toxicity of para- and ortho- chloronitrobenzene in rats and mice.	2006 Feb	16538040
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.	2006 Nov	16497524
1-Chloro-2-nitrobenzene: N-O...Cl halogen bonds and aromatic pi-pi stacking, and thermal vibrations in the vicinity of the melting point.	2007 Feb	17284805
Electron induced ortho-meta isomerization of single molecules.	2007 Mar 16	17501068
Controllable synthesis of VSB-5 microspheres and microrods: growth mechanism and selective hydrogenation catalysis.	2008	18335443
Degradation of o-chloronitrobenzene as the sole carbon and nitrogen sources by Pseudomonas putida OCNB-1.	2009	19402405
Synthesis and pharmacological evaluation of schiff bases of 4-(2-aminophenyl)-morpholines.	2009 Jul	20502549
2-(4-Chloro-3-nitro-phen-yl)-4-(4-chloro-phen-yl)-1,3-thia-zole.	2009 Oct 3	21578228
Preparation and characterization of biomimetic adsorbent from poly-3-hydroxybutyrate.	2010	21179968

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:56:09 GMT 2023` Edited by `admin` on `Fri Dec 15 18:56:09 GMT 2023`
Record UNII	D1YI9R2K8O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-CHLORONITROBENZENE

Common Name

English

CHLORO-2-NITROBENZENE, 1-

Systematic Name

English

BENZENE, 1-CHLORO-2-NITRO-

Systematic Name

English

O-CHLORONITROBENZENE [MI]

Common Name

English

NSC-36934

Code

English

1-CHLORO-2-NITROBENZENE [HSDB]

Common Name

English

2-CHLORONITROBENZENE

Systematic Name

English

1-CHLORO-2-NITROBENZENE

Systematic Name

English

1-CHLORONITROBENZENE

Systematic Name

English

2-CHLORO-1-NITROBENZENE

Systematic Name

English

Code System Code Type Description

NSC

36934