2-Naphthalenesulfonyl chloride

C10H7ClO2SCAS 93-11-8226.67 g/mol

Open in Covalent MOL file
OSOCl

Properties

Molecular formula
C10H7ClO2S
Molar mass
226.67 g/mol
Exact mass
225.9855 Da
Melting point
81 °C
logP
2.77Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 66 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P332+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number
93-11-8
SMILES
O=S(=O)(Cl)c1ccc2ccccc2c1
InChIKey
OPECTNGATDYLSS-UHFFFAOYSA-N
InChI
InChI=1S/C10H7ClO2S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

Weigh it out

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

Names and synonyms

7 names
  • β-Naphthalenesulfochloride
  • 2-Naphthylsulfonyl chloride
  • β-Naphthalenesulfonyl chloride
  • Naphthalene-2-sulfonic acid chloride
  • β-Naphthylsulfonyl chloride
  • 2-Naphthalenylsulfonyl chloride
  • NSC 133893

Work with 2-Naphthalenesulfonyl 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

6-Chloronaphthalene-2-sulfonyl chloride102153-63-967 % similar 1,3-Benzenedisulfonyl dichloride585-47-759 % similar Benzenesulfonyl chloride98-09-956 % similar Naphthalene-2-sulfonic acid120-18-355 % similar Naphthalene-2-sulfonamide1576-47-255 % similar (1,1'-Biphenyl)-4-sulphonyl chloride1623-93-453 % similar Coumarin-6-sulfonyl chloride10543-42-753 % similar 3-Chlorobenzenesulfonyl chloride2888-06-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chlorobenzo[b]thiophene-3-acetic acid17266-30-7 Methyl 3-chlorobenzo[B]thiophene-2-carboxylate21211-07-4 1-Naphthalenesulfonyl chloride85-46-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook