CAS 14002-51-8|4-phenylbenzoyl chloride|Biphenyl-4-carbonyl chloride 98%|4-Phenylbenzoyl chloride|4-(Chlorocarbonyl)biphenyl|4-(Chloroformyl)biphenyl|4-phenylbenzoyl chloride|联苯-4-甲酰氯|4-联苯基甲...

General Information

Structure

Molecular Formula

C₁₃H₉ClO

Molecular Mass

216.66296

Exact Mass

216.03419259

Charge

InChI

InChI=1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

InChIKey

JPVUWCPKMYXOKW-UHFFFAOYSA-N

Canonic Smiles

ClC(=O)c1ccc(cc1)c1ccccc1

Isomeric Smiles

ClC(=O)c1ccc(cc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.8113837

LogD (pH = 7.4)

3.8113837

Log P

3.8113837

Molar Refractivity

62.3089

Polarizability

25.047152

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-(Chlorocarbonyl)biphenylBiphenyl-4-carbonyl chloride 98%4-Phenylbenzoyl chloride4-(Chloroformyl)biphenyl4-联苯基甲酰氯联苯-4-甲酰氯Biphenyl-4-carbonyl chlorideBisphenyl-4-carbony chloride4-BIPHENYLCARBONYL CHLORIDE

IUPAC name

4-phenylbenzoyl chloride

IUPAC Traditional name

4-phenylbenzoyl chloride

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

Beilstein Number

MDL Number

EC Number

Registration numbers

Properties

Product Information

Download link

C6H5C6H4COCl

97%

98%

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

MP Biomedicals

02150465

Crystalline
Forms crystalline compounds with prostaglandins.

Sigma Aldrich

161144

Packaging
10, 50 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Corey, E.M. and Varma, R.K., J. Am. Chem. Soc. , 93 : 1491, (1971).

• Protection of the OH group of a non-crystalline prostaglandin intermediate, in the presence of pyridine, enabled isolation as the crystalline 4-phenylbenzoate ester: J. Am. Chem. Soc., 93, 1491 (1971). For protection of 3-azido-2,3-dideoxypentoses in a short AZT synthesis, see: Synthesis, 451 (1991). Again, the solid nature of these intermediates facilitates isolation.

• Protection of amines as their crystalline 4-phenylbenzamides has also been recommended. These amides can be cleaved with sodium amalgam: Tetrahedron Lett., 3853 (1976).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC name

4-phenylbenzoyl chloride

IUPAC Traditional name

4-phenylbenzoyl chloride

Registration numbers

PubChem CID

PubChem SID

CAS Number

Beilstein Number

MDL Number

EC Number

Molecule Details

Crystalline
Forms crystalline compounds with prostaglandins.

Sigma Aldrich

161144

Packaging
10, 50 g in glass bottle

References

PubChem Literature

From Data Sources

• Corey, E.M. and Varma, R.K., J. Am. Chem. Soc. , 93 : 1491, (1971).

• Protection of amines as their crystalline 4-phenylbenzamides has also been recommended. These amides can be cleaved with sodium amalgam: Tetrahedron Lett., 3853 (1976).

Bioactivity

PubChem BioAssay

Properties

Product Information

Download link

C6H5C6H4COCl

97%

98%

Molecule

ID:88259