Registration Dossier

Reference substances

Reference substances

IUPAC name:
sodium 3-methylsulphanilate

Inventory

EC number:
264-172-0
EC name:
Sodium 3-methylsulphanilate
CAS number:
63450-43-1
CAS number:
63450-43-1
Synonyms
Names:
Identifier:
IUPAC name
Sodium 2-toluidine-5-sulfonate
Identifier:
other: Molecular formula
C7H8NO3S.Na
sodium 4-amino-3-methylbenzenesulfonate

Molecular and structural information

Molecular formula:
C7H9NO3S.Na
Molecular weight:
209.198
SMILES notation:
[Na+].Cc1cc(ccc1N)S(=O)(=O)[O-]
InChl:
InChI=1/C7H9NO3S.Na/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4H,8H2,1H3,(H,9,10,11);/q;+1/p-1
Structural formula:
Chemical structure

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