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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Inventory

EC number:
202-658-6
EC name:
3-methylsulphanilic acid
CAS number:
98-33-9
CAS number:
98-33-9
Synonyms
Names:
4-amino-3-methylbenzenesulfonic_acid
Benzenesulfonic acid, 4-amino-3-methyl-
Identifier:
other: InChl
1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
Identifier:
other: SMILES notation
Cc1cc(ccc1N)S(=O)(=O)O
Identifier:
other: InChl
InChI=1/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
Identifier:
other: SMILES notation
S(c1cc(c(N)cc1)C)(O)(=O)=O
4-amino-3-methylbenzenesulfonic acid

Molecular and structural information

Molecular formula:
C7H9NO3S
Molecular weight:
187.218
SMILES notation:
S(c1cc(c(N)cc1)C)(O)(=O)=O
InChl:
1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
Structural formula:
Chemical structure

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