Registration Dossier

General information

Inventory

EC number:
202-057-9
EC name:
2-(4-aminoanilino)-5-nitrobenzenesulphonic acid
CAS number:
91-29-2

No inventory information available

Reference substance information

IUPAC name:
2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonic acid
Synonyms
Names:
Benzenesulfonic acid, 2- (4-aminophenyl)amino -5-nitro-
Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-
Identifier:
CAS number
91-29-2
Identifier:
other: InChl
InChI=1/C12H11N3O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20/h1-7,14H,13H2,(H,18,19,20)
Identifier:
other: SMILES notation
Nc1ccc(Nc2ccc(cc2S(=O)(=O)O)[N+](=O)[O-])cc1
2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonic acid

CAS information

CAS number:
91-29-2

Molecular and structural information

Molecular formula:
C12H11N3O5S
Molecular weight:
309.301
SMILES notation:
O=S(=O)(O)c1c(Nc2ccc(N)cc2)ccc([N+]([O-])=O)c1
InChl:
1S/C12H11N3O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(15(16)17)7-12(11)21(18,19)20/h1-7,14H,13H2,(H,18,19,20)
Structural formula:
Chemical structure