2-Sulfobenzoic acid
Properties
- Molecular formula
- C7H6O5S
- Molar mass
- 202.18 g/mol
- Exact mass
- 201.9936 Da
- Melting point
- 141 °C
- logP
- 0.63Crippen estimate
- Polar surface area
- 91.7 Ų
- H-bond donors / acceptors
- 2 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
632-25-7SMILES
O=C(O)c1ccccc1S(=O)(=O)OInChIKey
ZMPRRFPMMJQXPP-UHFFFAOYSA-NInChI
InChI=1S/C7H6O5S/c8-7(9)5-3-1-2-4-6(5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 2-sulfo-
- Benzoic acid, o-sulfo-
- o-Sulfobenzoic acid
- o-Carboxybenzenesulfonic acid
- 2-Carboxybenzenesulfonic acid
Work with 2-Sulfobenzoic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2-Methanesulfonylbenzoic acid33963-55-262 % similar
4-Amino-2-sulfobenzoic acid527-76-459 % similar
Phthalic acid88-99-357 % similar
9,10-Dihydro-9,10-dioxo-1-anthracenesulfonic acid82-49-554 % similar
4-Sulfophthalic acid89-08-753 % similar
Diphenic acid482-05-352 % similar
Ammonium phthalate523-24-052 % similar
5-Sulfosalicylic acid97-05-249 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.