chempirical

Dicapthon

C8H9ClNO5PSCAS 2463-84-5297.65 g/mol

Open in Covalent MOL file
OPSOON+OO−Cl
Aryl halideNitro

Properties

Molecular formula
C8H9ClNO5PS
Molar mass
297.65 g/mol
Exact mass
296.9628 Da
Melting point
53 °C
logP
3.14Crippen estimate
Polar surface area
70.8 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
5

Identifiers

CAS number
2463-84-5
SMILES
COP(=S)(OC)Oc1ccc([N+](=O)[O-])cc1Cl
InChIKey
OTKXWJHPGBRXCR-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-8-4-3-6(10(11)12)5-7(8)9/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Phosphorothioic acid, O-(2-chloro-4-nitrophenyl) O,O-dimethyl ester
  • OMS 214
  • ENT 17,035
  • American cyanamid 4124
  • O-(2-Chloro-4-nitrophenyl) O,O-dimethyl phosphorothioate
  • Di-captan
  • O,O-Dimethyl O-2-chloro-4-nitrophenyl phosphorothioate
  • Experimental insecticide 4124
  • Isochlorthion
  • p-Nitro-o-chlorophenyl dimethyl thionophosphate
  • BAY 14981
  • ENT 17035
  • Dicapthion
  • Insecticide ACC 4124

Work with Dicapthon

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-Chloro-1-methoxy-4-nitrobenzene4920-79-063 % similar Parathion methyl298-00-061 % similar Fenchlorphos299-84-355 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-552 % similar 2,4′-Dichloro-4-nitrodiphenyl ether22544-07-651 % similar 1,2-Dichloro-4-nitrobenzene99-54-750 % similar Bromophos2104-96-349 % similar 2-Chloro-4-nitrotoluene121-86-849 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook