2,5-Dimethylbenzenesulfonic acid
Properties
- Molecular formula
- C8H10O3S
- Molar mass
- 186.23 g/mol
- Exact mass
- 186.0351 Da
- Melting point
- 86 °C
- logP
- 1.55Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 38 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
609-54-1SMILES
Cc1ccc(C)c(S(=O)(=O)O)c1InChIKey
IRLYGRLEBKCYPY-UHFFFAOYSA-NInChI
InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzenesulfonic acid, 2,5-dimethyl-
- 2,5-Xylenesulfonic acid
- p-Xylene-2-sulfonic acid
- p-Xylenesulfonic acid
- 2,5-Dimethylbenzene-1-sulfonic acid
Work with 2,5-Dimethylbenzenesulfonic acid
Similar compounds
5-Amino-2-methylbenzenesulfonic acid118-88-764 % similar
2-Amino-5-methylbenzenesulfonic acid88-44-864 % similar
2,5-Dimethylbenzenesulfonyl chloride19040-62-158 % similar
2-Amino-3,5-dimethylbenzenesulfonic acid88-22-257 % similar
p-Toluenesulfonic acid104-15-457 % similar
2-Methyl-5-nitrobenzenesulfonic acid121-03-955 % similar
2,4,6-Trimethylbenzenesulfonic acid3453-83-653 % similar
Policresulen101418-00-253 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds