2,4-Dinitrobenzenesulfenyl chloride

C6H3ClN2O4SCAS 528-76-7234.61 g/mol

Open in Covalent MOL file
ON+O−SClN+OO−
Nitro

Properties

Molecular formula
C6H3ClN2O4S
Molar mass
234.61 g/mol
Exact mass
233.9502 Da
Melting point
99 °C
logP
2.75Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
528-76-7
SMILES
O=[N+]([O-])c1ccc(SCl)c([N+](=O)[O-])c1
InChIKey
GPXDNWQSQHFKRB-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2O4S/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H

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Names and synonyms

6 names
  • Benzenesulfenyl chloride, 2,4-dinitro-
  • 2,4-Dinitrophenylsulfenyl chloride
  • NSC 97092
  • 1-(Chlorosulfanyl)-2,4-dinitrobenzene
  • (2,4-Dinitrophenyl) thiohypochlorite
  • [(2,4-Dinitrophenyl)sulfanyl]chlorane

Reactions

Work with 2,4-Dinitrobenzenesulfenyl 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-Nitrobenzenesulfenyl chloride7669-54-762 % similar 2,4-Dinitrophenyl thiocyanate1594-56-561 % similar 2,4-Dinitrochlorobenzene97-00-757 % similar 2,4-Dinitrobenzaldehyde528-75-654 % similar 2,4-Dinitrotoluene121-14-253 % similar 2,4-Dinitrophenol51-28-553 % similar 1-Bromo-2,4-dinitrobenzene584-48-553 % similar 1-Fluoro-2,4-dinitrobenzene70-34-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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