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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

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 ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
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

Description

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

CNS Non-penetrant
1014
Curator's Comment: Known to be CNS non-penetrant in rats.

Originator

Approval Year

Unknown
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
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 Dec 15
Patents

Patents

03933886
2
04005217
5
04048326
2
05091581
3
05384330
2
06548495
3
06562854
2
06949542
4
07235547
2
07622592
2
08129396
2
08486984
4
JP2000095654A
6
JP2000128750A
7
JP2003238370A
8
JP2003292425A
11
JP2005120103A
7
JP2007238573A
6
JP2007238574A
6
JP2008069105A
2
JP3538424B2
10
JPH02138207A
2
JPH0317045A
2
JPH06107530A
5
JPH07267831A
7
JPH07267833A
7
JPH07267834A
11
JPH07324019A
2
JPH09110657A
2
JPH11217319A
2
JPS57114579A
6
JPS58177919A
2
US2750327
2

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 Sat Dec 16 19:57:42 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:42 GMT 2023
Record UNII
FS1IP6390X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-NITRO-P-PHENYLENEDIAMINE DIHYDROCHLORIDE
INCI  
INCI  
Official Name English
2-NITRO-1,4-BENZENEDIAMINE DIHYDROCHLORIDE [HSDB]
Common Name English
1,4-BENZENEDIAMINE, 2-NITRO-, DIHYDROCHLORIDE
Common Name English
1,4-BENZENEDIAMINE, 2-NITRO-, HYDROCHLORIDE (1:2)
Systematic Name English
2-NITRO-P-PHENYLENEDIAMINE DIHYDROCHLORIDE [INCI]
Common Name English
P-PHENYLENEDIAMINE, 2-NITRO-, DIHYDROCHLORIDE
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
242-144-9
Created by admin on Sat Dec 16 19:57:42 GMT 2023 , Edited by admin on Sat Dec 16 19:57:42 GMT 2023
PRIMARY
CAS
18266-52-9
Created by admin on Sat Dec 16 19:57:42 GMT 2023 , Edited by admin on Sat Dec 16 19:57:42 GMT 2023
PRIMARY
PUBCHEM
5360562
Created by admin on Sat Dec 16 19:57:42 GMT 2023 , Edited by admin on Sat Dec 16 19:57:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID8066349
Created by admin on Sat Dec 16 19:57:42 GMT 2023 , Edited by admin on Sat Dec 16 19:57:42 GMT 2023
PRIMARY
FDA UNII
FS1IP6390X
Created by admin on Sat Dec 16 19:57:42 GMT 2023 , Edited by admin on Sat Dec 16 19:57:42 GMT 2023
PRIMARY
HSDB
6254
Created by admin on Sat Dec 16 19:57:42 GMT 2023 , Edited by admin on Sat Dec 16 19:57:42 GMT 2023
PRIMARY
Related Record Type Details
Structure of 2-NITRO-P-PHENYLENEDIAMINE
PARENT -> SALT/SOLVATE
NIH
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