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Details

Stereochemistry ACHIRAL
Molecular Formula C6H7N3O2
Molecular Weight 153.1387
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-NITRO-P-PHENYLENEDIAMINE

SMILES

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

InChI

InChIKey=HVHNMNGARPCGGD-UHFFFAOYSA-N
InChI=1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2

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

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

Curator's Comment: Known to be CNS non-penetrant in rats.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Final report on the safety assessment of HC Red No. 7.
2008
Single strand dna breaks in human lymphocytes exposed to para-phenylenediamine and its derivatives.
2008 Jan
Hair dye poisoning and the developing world.
2009 May
Patents

Sample Use Guides

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 Sat Dec 16 20:13:17 GMT 2023
Edited
by admin
on Sat Dec 16 20:13:17 GMT 2023
Record UNII
PV83F3C01Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NITRO-P-PHENYLENEDIAMINE
HSDB   INCI  
INCI  
Official Name English
2-NITRO-P-PHENYLENEDIAMINE [INCI]
Common Name English
NSC-5377
Code English
O-NITRO-P-PHENYLENEDIAMINE
Common Name English
2-NITRO-1,4-PHENYLENEDIAMINE
Systematic Name English
CI 76070
Code English
NITRO-P-PHENYLENEDIAMINE, 2-
Common Name English
2,5-DIAMINONITROBENZENE
Systematic Name English
C.I.-76070
Code English
2-NITRO-P-PHENYLENEDIAMINE [HSDB]
Common Name English
Code System Code Type Description
CHEBI
76394
Created by admin on Sat Dec 16 20:13:18 GMT 2023 , Edited by admin on Sat Dec 16 20:13:18 GMT 2023
PRIMARY
FDA UNII
PV83F3C01Q
Created by admin on Sat Dec 16 20:13:18 GMT 2023 , Edited by admin on Sat Dec 16 20:13:18 GMT 2023
PRIMARY
PUBCHEM
4338370
Created by admin on Sat Dec 16 20:13:18 GMT 2023 , Edited by admin on Sat Dec 16 20:13:18 GMT 2023
PRIMARY
HSDB
4098
Created by admin on Sat Dec 16 20:13:18 GMT 2023 , Edited by admin on Sat Dec 16 20:13:18 GMT 2023
PRIMARY
MESH
C014706
Created by admin on Sat Dec 16 20:13:18 GMT 2023 , Edited by admin on Sat Dec 16 20:13:18 GMT 2023
PRIMARY
NSC
5377
Created by admin on Sat Dec 16 20:13:18 GMT 2023 , Edited by admin on Sat Dec 16 20:13:18 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-164-5
Created by admin on Sat Dec 16 20:13:18 GMT 2023 , Edited by admin on Sat Dec 16 20:13:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID4020957
Created by admin on Sat Dec 16 20:13:18 GMT 2023 , Edited by admin on Sat Dec 16 20:13:18 GMT 2023
PRIMARY
CAS
5307-14-2
Created by admin on Sat Dec 16 20:13:18 GMT 2023 , Edited by admin on Sat Dec 16 20:13:18 GMT 2023
PRIMARY
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