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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Currently viewing:
IUPAC name:
2-amino-3,5-dimethylbenzene-1-sulfonic acid

Inventory

EC number:
201-811-4
EC name:
2-amino-3,5-xylenesulphonic acid
CAS number:
88-22-2
CAS number:
88-22-2
Synonyms
Names:
2-amino-3,5-xylenesulphonic_acid
Benzenesulfonic acid, 2-amino-3,5-dimethyl-
Identifier:
IUPAC name
2-amino-3,5-dimethylbenzenesulfonic acid
Identifier:
other: InChl
1S/C8H11NO3S/c1-5-3-6(2)8(9)7(4-5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)
Identifier:
other: SMILES notation
Cc1cc(C)c(N)c(c1)S(=O)(=O)O
Identifier:
other: InChl
InChI=1/C8H11NO3S/c1-5-3-6(2)8(9)7(4-5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)
Identifier:
other: SMILES notation
O=S(=O)(O)c1c(N)c(cc(C)c1)C
2-amino-3,5-dimethylbenzene-1-sulfonic acid

Molecular and structural information

Molecular formula:
C8H11NO3S
Molecular weight:
201.245
SMILES notation:
O=S(=O)(O)c1c(N)c(cc(C)c1)C
InChl:
1S/C8H11NO3S/c1-5-3-6(2)8(9)7(4-5)13(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)
Structural formula:
Chemical structure

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