2-NITRO-P-PHENYLENEDIAMINE DIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H7N3O2.2ClH
Molecular Weight	226.061
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-NITRO-P-PHENYLENEDIAMINE DIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.NC1=CC=C(N)C(=C1)[N+]([O-])=O

InChI

InChIKey=VTJQZXFQQIDLRW-UHFFFAOYSA-N

InChI=1S/C6H7N3O2.2ClH/c7-4-1-2-5(8)6(3-4)9(10)11;;/h1-3H,7-8H2;2*1H

HIDE SMILES / InChI

Molecular Formula	C6H7N3O2
Molecular Weight	153.1387
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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/12799694

2-Nitro-p-phenylenediamine is a low molecular weight red dye which is able to penetrate into hair shafts; this compound is one of the most commonly used dyes in semi-permanent hair colorants. 2-Nitro-p-phenylenediamine is also an ingredient in permanent hair dye formulations.

CNS Activity

Originator

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
Hair dye poisoning and the developing world.	2009-05	19561974
Single strand dna breaks in human lymphocytes exposed to para-phenylenediamine and its derivatives.	2008-01	18058049
Final report on the safety assessment of HC Red No. 7.	2008	18569161
Differences in gene expression profiles in the liver between carcinogenic and non-carcinogenic isomers of compounds given to rats in a 28-day repeat-dose toxicity study.	2006-12-15	17070881
Separation and determination of nitrobenzenes by micellar electrokinetic chromatography and high-performance liquid chromatography.	2002-12-06	12498276

Patents

Sample Use Guides

In Vivo Use Guide

In a toxicology studies safety of the compound after oral and topical administration was studied.

Route of Administration: Other

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:52:22 GMT 2025` Edited by `admin` on `Wed Apr 02 17:52:22 GMT 2025`
Record UNII	FS1IP6390X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,4-BENZENEDIAMINE, 2-NITRO-, DIHYDROCHLORIDE

Preferred Name

English

2-NITRO-P-PHENYLENEDIAMINE DIHYDROCHLORIDE

Official Name

English

2-NITRO-1,4-BENZENEDIAMINE DIHYDROCHLORIDE [HSDB]

Common Name

English

1,4-BENZENEDIAMINE, 2-NITRO-, HYDROCHLORIDE (1:2)

Systematic Name

English

P-PHENYLENEDIAMINE, 2-NITRO-, DIHYDROCHLORIDE

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

242-144-9