Sulfoisophthalic acid
Properties
- Molecular formula
- C8H6O7S
- Molar mass
- 246.19 g/mol
- Exact mass
- 245.9834 Da
- Melting point
- 258 °C
- logP
- 0.33Crippen estimate
- Polar surface area
- 129.0 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
22326-31-4SMILES
O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)O)c1InChIKey
CARJPEPCULYFFP-UHFFFAOYSA-NInChI
InChI=1S/C8H6O7S/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h1-3H,(H,9,10)(H,11,12)(H,13,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1,3-Benzenedicarboxylic acid, 5-sulfo-
- Isophthalic acid, 5-sulfo-
- 5-Sulfo-1,3-benzenedicarboxylic acid
- 5-Sulfoisophthalic acid
- 3,5-Dicarboxybenzenesulfonic acid
Work with Sulfoisophthalic 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
Trimesic acid554-95-060 % similar
Biphenyl-3,3',5,5'-tetracarboxylic acid4371-28-254 % similar
5-Sulfosalicylic acid97-05-251 % similar
2-Amino-4-sulfobenzoic acid98-43-151 % similar
3-Amino-2-hydroxy-5-sulfobenzoic acid6201-86-151 % similar
5-Bromo-1,3-benzenedicarboxylic acid23351-91-950 % similar
5-Sulfoanthranilic acid3577-63-750 % similar
5-Hydroxyisophthalic acid618-83-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.