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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

IUPAC name:
2-(3-(4-amino-9,10-dihydro-3-sulpho-9,10-dioxoanthracen-4-yl)aminobenzenesulphonyl)vinyl) disodium sulphate

Inventory

EC number:
202-057-9
EC name:
2-(4-aminoanilino)-5-nitrobenzenesulphonic acid
CAS number:
91-29-2
CAS number:
91-29-2
Synonyms
Names:
Benzenesulfonic acid, 2- (4-aminophenyl)amino -5-nitro-
Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-
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

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

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