4-(Benzyloxy)benzene-1-sulfonyl chloride

C₁₃H₁₁ClO₃SCAS 87001-32-9282.74 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₁₃H₁₁ClO₃S
Molar mass: 282.74 g/mol
Exact mass: 282.0117 Da
logP: 3.19Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H290 May be corrosive to metals50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P333+P317, P337+P317, P362+P364, P363, P390, P405, P406, P501

Identifiers

CAS number

87001-32-9

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)S(=O)(=O)Cl

InChIKey

BRTDEKQMIKCPKH-UHFFFAOYSA-N

InChI

InChI=1S/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2

Weigh it out

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

Work with 4-(Benzyloxy)benzene-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-Phenoxybenzene-1-sulfonyl chloride1623-92-362 % similar Hydroquinone dibenzyl ether621-91-060 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-858 % similar 4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol63134-33-857 % similar Benzyl phenyl ether946-80-555 % similar Benzenesulfonyl chloride98-09-955 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-155 % similar 4-Benzyloxychlorobenzene7700-27-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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