PENTACHLOROANILINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H2Cl5N
Molecular Weight	265.352
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl

InChI

InChIKey=KHCZSJXTDDHLGJ-UHFFFAOYSA-N

InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

HIDE SMILES / InChI

Molecular Formula	C6H2Cl5N
Molecular Weight	265.352
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19959285 | https://www.ncbi.nlm.nih.gov/pubmed/18522099 | https://www.ncbi.nlm.nih.gov/pubmed/2326626

Pentachloroaniline, a pesticide, is the primary degradation product of pentachloronitrobenzene.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
Microbial transformation of pentachloronitrobenzene under nitrate reducing conditions.	2010-09	20131084
Application of gamma irradiation in ginseng for both photodegradation of pesticide pentachloronitrobenzene and microbial decontamination.	2010-04-15	19959285
Quality assurance for Chinese herbal formulae: standardization of IBS-20, a 20-herb preparation.	2010-02-22	20175906
Theoretical investigation of the sequential reductive dechlorination pathways of chlorobenzenes and chloroanilines.	2010-02-15	19806676
Influence of sulfate reduction on the microbial dechlorination of pentachloroaniline in a mixed anaerobic culture.	2010-02	19557522
Harmonization of monographic standards is needed to ensure the quality of Chinese medicinal materials.	2009-09-22	19772606
Gene expression analysis in zebrafish embryos: a potential approach to predict effect concentrations in the fish early life stage test.	2009-09	19402758
Survey of organochlorine pesticides in horticultural soils and there grown Cucurbitaceae.	2008-10	18691732
Chloroperoxidase-mediated transformation of highly halogenated monoaromatic compounds.	2008-06	18439646
Effect of nitrate reduction on the microbial reductive transformation of pentachloronitrobenzene.	2008-05-01	18522099
Effects of formulations of the fungicide, pentachloronitrobenzene on early life stage development of the Japanese medaka (Oryzias latipes).	2008-05	18294675
Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism.	2008-04	18324785
Efficient removal of the organochlorine pesticide and heavy-metal residues in Epimedium brevicornum Maxim by supercritical fluid extraction.	2007-12	18254243
Influence of dissolved organic matter and Fe(II) on the abiotic reduction of pentachloronitrobenzene.	2007-11-01	18044508
Modification and re-validation of the ethyl acetate-based multi-residue method for pesticides in produce.	2007-11	17563885
Temperature and pH effect on the microbial reductive transformation of pentachloronitrobenzene.	2007-07-11	17552540
Kinetics of the microbial reductive dechlorination of pentachloroaniline.	2006-07-15	16903287
Microbial reductive transformation of pentachloronitrobenzene under methanogenic conditions.	2005-11-01	16294862
Ozone treatment of soil contaminated with aniline and trifluralin.	2003-03	12531708

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:28:48 GMT 2025` Edited by `admin` on `Mon Mar 31 19:28:48 GMT 2025`
Record UNII	UW5QVL647I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-49579

Preferred Name

English

PENTACHLOROANILINE

Systematic Name

English

2,3,4,5,6-PENTACHLOROBENZENAMINE

Systematic Name

English

BENZENAMINE, 2,3,4,5,6-PENTACHLORO-

Systematic Name

English

2,3,4,5,6-PENTACHLOROANILINE

Systematic Name

English

ANILINE, 2,3,4,5,6-PENTACHLORO-

Systematic Name

English

PENTACHLOROANILINE [HSDB]

Common Name

English

PENTACHLOROAMINOBENZENE

Common Name

English

Code System Code Type Description

PUBCHEM

10693