1,3-Benzenedisulfonyl dichloride

C₆H₄Cl₂O₄S₂CAS 585-47-7275.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄Cl₂O₄S₂
Molar mass: 275.11 g/mol
Exact mass: 273.8928 Da
Melting point: 63 °C
logP: 1.54Crippen estimate
Polar surface area: 68.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage99.3% of notifiers
H317 May cause an allergic skin reaction95.4% of notifiers
H318 Causes serious eye damage70.2% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled95.4% of notifiers

Aggregated from 151 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P342+P316, P362+P364, P363, P403, P405, P501

Identifiers

CAS number

585-47-7

SMILES

O=S(=O)(Cl)c1cccc(S(=O)(=O)Cl)c1

InChIKey

ALIQZUMMPOYCIS-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2O4S2/c7-13(9,10)5-2-1-3-6(4-5)14(8,11)12/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

m-Benzenedisulfonyl chloride
3-(Chlorosulfonyl)benzenesulfonyl chloride
m-Phenylenedisulfonyl chloride
m-Benzenedisulfonyl dichloride
1,3-Bis(chlorosulfonyl)benzene
m-Bis(chlorosulfonyl)benzene
1,3-Benzenedisulfonyl chloride
NSC 61429
1,3-Phenylenebis(sulfonyl chloride)

Work with 1,3-Benzenedisulfonyl dichloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chlorobenzenesulfonyl chloride2888-06-475 % similar 3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-073 % similar 3-Fluorobenzenesulfonyl chloride701-27-972 % similar M-Toluenesulfonyl chloride1899-93-069 % similar 3-Bromobenzenesulfonyl chloride2905-24-069 % similar Benzenesulfonyl chloride98-09-968 % similar 3-Methoxybenzenesulfonyl chloride10130-74-262 % similar 3-Cyanobenzene-1-sulfonyl chloride56542-67-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2-Benzenedisulfonyl dichloride6461-76-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook