6-Chloronaphthalene-2-sulfonyl chloride

C₁₀H₆Cl₂O₂SCAS 102153-63-9261.12 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₁₀H₆Cl₂O₂S
Molar mass: 261.12 g/mol
Exact mass: 259.9466 Da
Melting point: 108 °C
logP: 3.42Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number

102153-63-9

SMILES

O=S(=O)(Cl)c1ccc2cc(Cl)ccc2c1

InChIKey

IYFIYGSJZIICOZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H6Cl2O2S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6H

Weigh it out

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

Names and synonyms

2 names

6-Chloro-2-naphthalenesulfonyl chloride
2-Naphthalenesulfonyl chloride, 6-chloro-

Work with 6-Chloronaphthalene-2-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

2-Naphthalenesulfonyl chloride93-11-867 % similar 4-Chlorobenzenesulfonyl chloride98-60-264 % similar 3-Chlorobenzenesulfonyl chloride2888-06-463 % similar 4′-Chloro[1,1′-biphenyl]-4-sulfonyl chloride20443-74-758 % similar 1,3-Benzenedisulfonyl dichloride585-47-755 % similar 3,5-Dichlorobenzenesulfonyl chloride705-21-553 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-753 % similar Coumarin-6-sulfonyl chloride10543-42-750 % similar

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

Elsewhere

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