chempirical

(1,1'-Biphenyl)-4,4'-disulfonyl dichloride

C12H8Cl2O4S2CAS 3406-84-6351.21 g/mol

Open in Covalent MOL file
OSOClSOOCl

Properties

Molecular formula
C12H8Cl2O4S2
Molar mass
351.21 g/mol
Exact mass
349.9241 Da
Melting point
203 °C
logP
3.21Crippen estimate
Polar surface area
68.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 41 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
3406-84-6
SMILES
O=S(=O)(Cl)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1
InChIKey
OTFAWEIFBPUXOH-UHFFFAOYSA-N
InChI
InChI=1S/C12H8Cl2O4S2/c13-19(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(14,17)18/h1-8H

Weigh it out

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

Names and synonyms

7 names
  • [1,1′-Biphenyl]-4,4′-disulfonyl dichloride
  • 4,4′-Biphenyldisulfonyl chloride
  • 4,4′-Biphenylylenedisulfonyl chloride
  • 4,4′-Bis(chlorosulfonyl)biphenyl
  • NSC 2062
  • 4,4′-Biphenyldisulfonic acid dichloride
  • 4,4′-Biphenylenedisulfonyl chloride

Work with (1,1'-Biphenyl)-4,4'-disulfonyl dichloride

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

(1,1'-Biphenyl)-4-sulphonyl chloride1623-93-482 % similar 4'-Chlorobiphenyl-4-sulfonyl chloride20443-74-778 % similar 4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride116748-66-475 % similar 4-Chlorobenzenesulfonyl chloride98-60-265 % similar Benzenesulfonyl chloride98-09-964 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-163 % similar 4-Fluorobenzenesulfonyl chloride349-88-263 % similar 4-Bromobenzenesulfonyl chloride98-58-863 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook