chempirical

Styrylphosphonic dichloride

C8H7Cl2OPCAS 4708-07-0221.02 g/mol

Open in Covalent MOL file
POClCl
Alkene

Properties

Molecular formula
C8H7Cl2OP
Molar mass
221.02 g/mol
Exact mass
219.9612 Da
logP
4.33Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
4708-07-0
SMILES
C1=CC=C(C=C1)/C=C/P(=O)(Cl)Cl
InChIKey
JZCWUZUUPGUVRB-VOTSOKGWSA-N
InChI
InChI=1S/C8H7Cl2OP/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+

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Names and synonyms

5 names
  • [(E)-2-Dichlorophosphorylethenyl]benzene
  • [(E)-2-Phenylvinyl]phosphonic dichloride
  • (E)-2-Phenylethenylphosphonic dichloride
  • Phosphonic dichloride, (2-phenylethenyl)-
  • [(E)-2-Dichloro-phosphoryl-vinyl]-benzene

Reactions

Work with Styrylphosphonic 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

(E)-Stilbene103-30-046 % similar (Z)-Stilbene645-49-846 % similar Beta-Bromostyrene103-64-043 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-742 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-842 % similar 1,4-Diphenyl-1,3-butadiene886-65-742 % similar Cinnamaldehyde104-55-240 % similar Cinnamaldehyde14371-10-940 % similar

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

Elsewhere

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