4-NITRO-O-PHENYLENEDIAMINE SULFATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H7N3O2.H2O4S
Molecular Weight	251.217
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-NITRO-O-PHENYLENEDIAMINE SULFATE

Structure Search

SMILES

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

InChI

InChIKey=JOCYNLSMOXUCGV-UHFFFAOYSA-N

InChI=1S/C6H7N3O2.H2O4S/c7-5-2-1-4(9(10)11)3-6(5)8;1-5(2,3)4/h1-3H,7-8H2;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:24:15 GMT 2025` Edited by `admin` on `Mon Mar 31 19:24:15 GMT 2025`
Record UNII	L1E2M78P4W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-NITRO-O-PHENYLENEDIAMINE SULFATE

Official Name

English

RODOL 4JS

Preferred Name

English

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

Systematic Name

English

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

Common Name

English

4-nitro-o-phenylenediamine sulfate [WHO-DD]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID50887308

Created by admin on Mon Mar 31 19:24:15 GMT 2025 , Edited by admin on Mon Mar 31 19:24:15 GMT 2025

PRIMARY

CAS

68239-82-7

Created by admin on Mon Mar 31 19:24:15 GMT 2025 , Edited by admin on Mon Mar 31 19:24:15 GMT 2025

PRIMARY

PUBCHEM

5361844

Created by admin on Mon Mar 31 19:24:15 GMT 2025 , Edited by admin on Mon Mar 31 19:24:15 GMT 2025

PRIMARY

ECHA (EC/EINECS)

269-476-7

Created by admin on Mon Mar 31 19:24:15 GMT 2025 , Edited by admin on Mon Mar 31 19:24:15 GMT 2025

PRIMARY

FDA UNII

L1E2M78P4W

Created by admin on Mon Mar 31 19:24:15 GMT 2025 , Edited by admin on Mon Mar 31 19:24:15 GMT 2025

PRIMARY

HSDB

6235

Created by admin on Mon Mar 31 19:24:15 GMT 2025 , Edited by admin on Mon Mar 31 19:24:15 GMT 2025

PRIMARY

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4-NITRO-O-PHENYLENEDIAMINE

PARENT -> SALT/SOLVATE