3-(Chlorosulfonyl)benzoic acid
Properties
- Molecular formula
- C7H5ClO4S
- Molar mass
- 220.62 g/mol
- Exact mass
- 219.9597 Da
- Melting point
- 131 °C
- logP
- 1.31Crippen estimate
- Polar surface area
- 71.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage85.1% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501
Identifiers
CAS number
4025-64-3SMILES
O=C(O)c1cccc(S(=O)(=O)Cl)c1InChIKey
LMRKXSDOAFUINK-UHFFFAOYSA-NInChI
InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzoic acid, 3-(chlorosulfonyl)-
- Benzoic acid, m-(chlorosulfonyl)-
- 3-Carboxyphenylsulfonyl chloride
- m-Chlorosulfonylbenzoic acid
- 3-Carboxybenzenesulfonyl chloride
- m-Carboxybenzenesulfonyl chloride
- NSC 23778
- NSC 44616
Work with 3-(Chlorosulfonyl)benzoic acid
Similar compounds
3-Methanesulfonylbenzoic acid5345-27-762 % similar
4-Chloro-3-(chlorosulphonyl)benzoic acid2494-79-359 % similar
Isophthalic acid121-91-558 % similar
1,3-Benzenedisulfonyl dichloride585-47-758 % similar
Methyl benzoate-3-sulfonyl chloride63555-50-057 % similar
5-(Chlorosulfonyl)-2-hydroxybenzoic acid17243-13-955 % similar
3-Chlorobenzoic acid535-80-854 % similar
5-(Chlorosulphonyl)-2-fluorobenzoic acid37098-75-254 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.