4,4′-Oxybis[benzenesulfonyl chloride]

C₁₂H₈Cl₂O₅S₂CAS 121-63-1367.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₈Cl₂O₅S₂
Molar mass: 367.21 g/mol
Exact mass: 365.9190 Da
Melting point: 128–129 °C
logP: 3.33Crippen estimate
Polar surface area: 77.5 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

Danger

H290 May be corrosive to metals33.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

121-63-1

SMILES

O=S(=O)(Cl)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1

InChIKey

HJKXLQIPODSWMB-UHFFFAOYSA-N

InChI

InChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H

Weigh it out

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

Names and synonyms

13 names · show all

Benzenesulfonyl chloride, 4,4′-oxybis-
Benzenesulfonyl chloride, 4,4′-oxydi-
4,4′-Oxydibenzenesulfonyl chloride
Diphenyl ether 4,4′-disulfonyl chloride
Oxybis(benzenesulfonyl chloride)
Bis(4-chlorosulfonylphenyl) ether
p,p′-Oxybis(benzenesulfonyl chloride)
4,4′-Oxybis(benzenesulfonyl chloride)
Oxybis(4-benzenesulfonyl chloride)
Phenoxybenzene-4,4′-disulfonyl chloride
4,4′-Bis(chlorosulfonyl)biphenyl ether
4,4′-Bis(chlorosulfonyl)diphenyl ether
NSC 212

Work with 4,4′-Oxybis[benzenesulfonyl chloride]

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

4-Phenoxybenzene-1-sulfonyl chloride1623-92-384 % similar 4-Methoxybenzenesulfonyl chloride98-68-067 % similar (1,1'-Biphenyl)-4,4'-disulfonyl dichloride3406-84-663 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-860 % similar 4-(Difluoromethoxy)benzenesulfonyl chloride351003-34-460 % similar 4-(Trifluoromethoxy)benzenesulfonyl chloride94108-56-260 % similar 4-Isopropoxybenzenesulfonyl chloride98995-40-560 % similar 4-Chlorobenzenesulfonyl chloride98-60-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook