CAS 824-72-6|phenylphosphonoyl dichloride|PHENYL PHOSPHONIC DICHLORIDE|phosphonic dichloride, phenyl-|P,P-Dichlorophenylphosphine oxide|Dichlorophenylphosphine oxide|苯基二氯化磷|Phenylphosphonic di...

General Information

Structure

Molecular Formula

C₆H₅Cl₂OP

Molecular Mass

194.983061

Exact Mass

193.94550677

Charge

InChI

InChI=1S/C6H5Cl2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H

InChIKey

IBDMRHDXAQZJAP-UHFFFAOYSA-N

Canonic Smiles

ClP(=O)(c1ccccc1)Cl

Isomeric Smiles

P(=O)(c1ccccc1)(Cl)Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.8198

LogD (pH = 7.4)

2.8198

Log P

2.8198

Molar Refractivity

44.3898

Polarizability

17.400133

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

phenylphosphonoyl dichloride

Synonyms

PHENYL PHOSPHONIC DICHLORIDEP,P-Dichlorophenylphosphine oxideDichlorophenylphosphine oxide苯基二氯化磷Phenylphosphonic dichloridePhenylphosphonic dichloridePhenylphosphonyl dichlorideBenzenephosphonic dichloridePhenyldichlorophosphine oxide苯膦氧化二氯Phenylphosphoryl dichlorideBenzenephosphonyl chloride苯膦酰二氯

IUPAC Traditional name

phosphonic dichloride, phenyl-

Names and Identifiers

Registration numbers

CAS Number

EC Number

Beilstein Number

MDL Number

PubChem SID

2486429116207532824862310

PubChem CID

69990

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05212985

MP Biomedicals Rare Chemical collection

Sigma Aldrich

389560

Packaging
100, 500 mL in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Effective reagent for the chlorinative dehydration of some heterocycles, in cases where conventional reagents such as POCl₃ or P₂O₅ fail; see, e.g.: J. Med. Chem., 14, 339 (1971):

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

phenylphosphonoyl dichloride

Synonyms

IUPAC Traditional name

phosphonic dichloride, phenyl-

Registration numbers

CAS Number

EC Number

Beilstein Number

MDL Number

PubChem SID

2486429116207532824862310

PubChem CID

69990

Molecule Details

MP Biomedicals

05212985

MP Biomedicals Rare Chemical collection

Sigma Aldrich

389560

Packaging
100, 500 mL in glass bottle

References

PubChem Literature

From Data Sources

• Effective reagent for the chlorinative dehydration of some heterocycles, in cases where conventional reagents such as POCl₃ or P₂O₅ fail; see, e.g.: J. Med. Chem., 14, 339 (1971):

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:88368