CAS 623-24-5|alpha,alpha'-Dibromo-p-xylene|1,4-bis(bromomethyl)benzene|p-Xylylene dibromide|1,4-Bis(bromomethyl)benzene|benzene, 1,4-bis(bromomethyl)-|α,α′-Dibromo-p-xylene|α,α′-二溴-对二甲苯|...

General Information

Structure

Molecular Formula

C₈H₈Br₂

Molecular Mass

263.95712

Exact Mass

261.89927426

Charge

InChI

InChI=1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2

InChIKey

RBZMSGOBSOCYHR-UHFFFAOYSA-N

Canonic Smiles

BrCc1ccc(cc1)CBr

Isomeric Smiles

BrCc1ccc(cc1)CBr

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.5187206

LogD (pH = 7.4)

3.5187206

Log P

3.5187206

Molar Refractivity

51.7588

Polarizability

19.559984

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

alpha,alpha'-Dibromo-p-xylenep-Xylylene dibromide1,4-Bis(bromomethyl)benzeneα,α′-Dibromo-p-xyleneα,α′-二溴-对二甲苯1,4-Bis(bromomethyl)benzene1,4-二(溴甲基)苯二溴对二甲苯NSC 62261,4-Di(bromomethyl)benzenep-Xylylene Bromide4-Bromomethylbenzyl Bromide1,4-Xylylene Dibromidep-Xylylene dibromide二溴对亚二甲苯

IUPAC name

1,4-bis(bromomethyl)benzene

IUPAC Traditional name

benzene, 1,4-bis(bromomethyl)-

Names and Identifiers

Registration numbers

CAS Number

EC Number

MDL Number

Beilstein Number

PubChem CID

PubChem SID

1620382782486124824893876

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

D44804

Packaging
5, 25, 100 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Reductive coupling has been used in a relatively high-yielding route to [2,2]-p-cyclophanes: Chem. Lett., 13 (1989); J. Chem. Soc., Perkin 1, 2029 (1991). Used in template-directed synthesis of rigid cyclophane receptor: Synlett, 462 (1991). For use in rotaxane synthesis, see: Synlett, 8975 (1992).

References

Bioactivity

PubChem BioAssay

Bioactivity