4-Phenoxybenzene-1-sulfonyl chloride

C₁₂H₉ClO₃SCAS 1623-92-3268.71 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₉ClO₃S
Molar mass: 268.71 g/mol
Exact mass: 267.9961 Da
logP: 3.41Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage83.3% of notifiers

Aggregated from 48 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

1623-92-3

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)Cl

InChIKey

QIZPONOMFWAPRR-UHFFFAOYSA-N

InChI

InChI=1S/C12H9ClO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H

Weigh it out

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

Names and synonyms

1 names

4-Phenoxybenzenesulfonyl chloride

Work with 4-Phenoxybenzene-1-sulfonyl 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

4,4′-Oxybis[benzenesulfonyl chloride]121-63-184 % similar Benzenesulfonyl chloride98-09-965 % similar (1,1'-Biphenyl)-4-sulphonyl chloride1623-93-462 % similar 4-(Benzyloxy)benzene-1-sulfonyl chloride87001-32-962 % similar 4-Methoxybenzenesulfonyl chloride98-68-058 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-654 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-853 % similar 4-(Difluoromethoxy)benzenesulfonyl chloride351003-34-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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