2-Nitrobenzenesulfonyl chloride

C6H4ClNO4SCAS 1694-92-4221.61 g/mol

Open in Covalent MOL file
ON+O−SOOCl
Nitro

Properties

Molecular formula
C6H4ClNO4S
Molar mass
221.61 g/mol
Exact mass
220.9550 Da
Melting point
67 °C
logP
1.52Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501

Identifiers

CAS number
1694-92-4
SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)Cl
InChIKey
WPHUUIODWRNJLO-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H

Weigh it out

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

Names and synonyms

11 names
  • Benzenesulfonyl chloride, 2-nitro-
  • Benzenesulfonyl chloride, o-nitro-
  • o-Nitrobenzenesulfonyl chloride
  • o-Nitrophenylsulfonyl chloride
  • 2-Nitrophenylsulfonyl chloride
  • NSC 12991
  • 2-Nitrobenzene-1-sulfonyl chloride
  • o-Nosyl chloride
  • 2-Nitro-phenyl-sulphonyl chloride
  • 1-(Chlorosulfonyl)-2-nitrobenzene
  • 2-Nitrobenzenesulphonyl chloride

Work with 2-Nitrobenzenesulfonyl 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

2,4-Dinitrobenzenesulfonyl chloride1656-44-664 % similar 2-Nitrobenzenesulfonamide5455-59-460 % similar 2-Nitrobenzenesulfonic acid80-82-060 % similar 2-Nitrophenyl phenyl sulfone31515-43-258 % similar 2-Nitro-4-(trifluoromethyl)benzene-1-sulfonyl chloride837-95-656 % similar 1,2-Dinitrobenzene528-29-055 % similar 1,2-Benzenedisulfonyl dichloride6461-76-355 % similar 2,2′-Dinitrobiphenyl2436-96-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrobenzenesulfonyl chloride121-51-7 4-Nitrobenzenesulfonyl chloride98-74-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook