1-Naphthalenesulfonyl chloride

C10H7ClO2SCAS 85-46-1226.67 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
68 °C
logP
2.77Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
85-46-1
SMILES
O=S(=O)(Cl)c1cccc2ccccc12
InChIKey
DASJFYAPNPUBGG-UHFFFAOYSA-N
InChI
InChI=1S/C10H7ClO2S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

Weigh it out

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

Names and synonyms

7 names
  • α-Naphthalenesulfochloride
  • α-Naphthalenesulfonyl chloride
  • 1-Naphthylsulfonyl chloride
  • 1-Chlorosulfonylnaphthalene
  • NSC 74636
  • Naphthyl-sulphonyl chloride
  • Naphthalen-1-sulfonyl chloride

Work with 1-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

1,5-Naphthalenedisulfonyl chloride1928-01-476 % similar 1,2-Benzenedisulfonyl dichloride6461-76-364 % similar 5-Isoquinolinesulfonyl chloride84468-15-564 % similar 2-Chlorobenzenesulfonyl chloride2905-23-959 % similar Naphthalene-1-sulfonic acid85-47-255 % similar Dansyl chloride605-65-254 % similar 2-Bromobenzenesulphonyl chloride2905-25-153 % similar 8-Quinolinesulfonyl chloride18704-37-553 % 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 2-Naphthalenesulfonyl chloride93-11-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook