CAS 2567-29-5|4-(Bromomethyl)biphenyl|1-(bromomethyl)-4-phenylbenzene|1-(bromomethyl)-4-phenylbenzene|4-(Bromomethyl)-4-biphenyl|4-(Bromomethyl)-1-phenylbenzene|p-Phenylbenzyl Bromide|4-Phenylbenzyl...

General Information

Structure

Molecular Formula

C₁₃H₁₁Br

Molecular Mass

247.13044

Exact Mass

246.00441235

Charge

InChI

InChI=1S/C13H11Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2

InChIKey

HZQLUIZFUXNFHK-UHFFFAOYSA-N

Canonic Smiles

BrCc1ccc(cc1)c1ccccc1

Isomeric Smiles

c1ccc(cc1)c1ccc(cc1)CBr

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.3932085

LogD (pH = 7.4)

4.3932085

Log P

4.3932085

Molar Refractivity

64.0446

Polarizability

25.651972

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1-(bromomethyl)-4-phenylbenzene

IUPAC Traditional name

1-(bromomethyl)-4-phenylbenzene

Synonyms

4-(Bromomethyl)biphenyl4-(Bromomethyl)diphenyl4-(Bromomethyl)-1-phenylbenzene4-Phenylbenzyl Bromide4-(Bromomethyl)-4-biphenylp-Phenylbenzyl BromideNSC 861434-(Bromomethyl)-1,1'-biphenyl4-Biphenylylmethyl Bromide4-Biphenylmethylbromide4-BROMOMETHYLBIPHENYL

Names and Identifiers

Registration numbers

CAS Number

PubChem SID

PubChem CID

MDL Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

TRC

B685295

4-(Bromomethyl)biphenyl is a biphenyl derivative used in the preparation of various pharmaceutical compounds such as protein tyrosine phosphatase 1B inhibitors. 4-(Bromomethyl)biphenyl is useful as as atom transfer radical polymerization initiator.

Molecule Details

References

PubChem Literature

From Data Sources

• Xie, J. et al.: Bioorg. Med. Chem. Lett., 21, 4306 (2011)

References

Bioactivity

PubChem BioAssay

Bioactivity

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