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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6ClN3O2
Molecular Weight 187.584
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-CHLORO-3-NITRO-O-PHENYLENEDIAMINE

SMILES

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

InChI

InChIKey=PIPKLZRJGNJMBY-UHFFFAOYSA-N
InChI=1S/C6H6ClN3O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,8-9H2

HIDE SMILES / InChI

Molecular Formula C6H6ClN3O2
Molecular Weight 187.584
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:45:51 GMT 2025
Edited
by admin
on Mon Mar 31 21:45:51 GMT 2025
Record UNII
5F2BK3NSLK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-NITRO-5-CHLORO-O-PHENYLENEDIAMINE
Preferred Name English
5-CHLORO-3-NITRO-O-PHENYLENEDIAMINE
Common Name English
3-NITRO-5-CHLORO-1,2-BENZENEDIAMINE
Systematic Name English
5-CHLORO-3-NITRO-1,2-BENZENEDIAMINE [HSDB]
Common Name English
1,2-BENZENEDIAMINE, 5-CHLORO-3-NITRO-
Systematic Name English
Code System Code Type Description
CAS
42389-30-0
Created by admin on Mon Mar 31 21:45:51 GMT 2025 , Edited by admin on Mon Mar 31 21:45:51 GMT 2025
PRIMARY
PUBCHEM
5361091
Created by admin on Mon Mar 31 21:45:51 GMT 2025 , Edited by admin on Mon Mar 31 21:45:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
255-792-2
Created by admin on Mon Mar 31 21:45:51 GMT 2025 , Edited by admin on Mon Mar 31 21:45:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID2068391
Created by admin on Mon Mar 31 21:45:51 GMT 2025 , Edited by admin on Mon Mar 31 21:45:51 GMT 2025
PRIMARY
FDA UNII
5F2BK3NSLK
Created by admin on Mon Mar 31 21:45:51 GMT 2025 , Edited by admin on Mon Mar 31 21:45:51 GMT 2025
PRIMARY
HSDB
6231
Created by admin on Mon Mar 31 21:45:51 GMT 2025 , Edited by admin on Mon Mar 31 21:45:51 GMT 2025
PRIMARY