CAS 1765-40-8|1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene|1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene|2,3,4,5,6-Pentafluorobenzyl bromide|2,3,4,5,6-Pentafluorobenzyl bromide 99%|alpha-Bromo-2,3,4,...

General Information

Structure

Molecular Formula

C₇H₂BrF₅

Molecular Mass

260.986796

Exact Mass

259.92600316

Charge

InChI

InChI=1S/C7H2BrF5/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h1H2

InChIKey

XDEPVFFKOVDUNO-UHFFFAOYSA-N

Canonic Smiles

BrCc1c(F)c(F)c(c(c1F)F)F

Isomeric Smiles

c1(c(c(c(c(c1F)F)F)F)F)CBr

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.459493

LogD (pH = 7.4)

3.459493

Log P

3.459493

Molar Refractivity

39.9904

Polarizability

14.5143585

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene

IUPAC Traditional name

1-(bromomethyl)-2,3,4,5,6-pentafluorobenzene

Synonyms

2,3,4,5,6-Pentafluorobenzyl bromide2,3,4,5,6-Pentafluorobenzyl bromide 99%alpha-Bromo-2,3,4,5,6-pentafluorotoluene1-(Bromomethyl)-2,3,4,5,6-pentafluorobenzeneα-溴-2,3,4,5,6-五氟甲苯(Bromomethyl)pentafluorobenzene(溴甲基)五氟苯2,3,4,5,6-Pentafluorobenzyl bromide2,3,4,5,6-五氟溴化苄α-Bromo-2,3,4,5,6-pentafluorotoluenePENTAFLUOROBENZYL BROMIDEα-Bromo-2,3,4,5,6-pentafluorotoluene2,3,4,5,6-Pentafluorobenzyl bromidePentafluorobenzyl bromide五氟苄基溴2,3,4,5,6-五氟溴化苄2,3,4,5,6-五氟苯甲基溴

Names and Identifiers

Registration numbers

CAS Number

MDL Number

Beilstein Number

EC Number

PubChem SID

2485982816097007524846531

PubChem CID

74484

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC5550

J. Chromat., 107, 327 (1975): reagent for the derivatisation of alcohols, carboxylic acids, sulphonamides, etc for GC

MP Biomedicals

02156091

Yellow liquid

Sigma Aldrich

101052

Application
Derivatizing agent for GC analysis of polyfunctional thiols.1
For the preparation of pentafluorobenzyl esters of organic acids for determination by capillary and GC. Also used to derivatize N-7-substituted guanine adducts of DNA for determination by GC-electron capture-MS.
Packaging
1, 5, 25 g in glass bottle

17910

Other Notes
Derivatizing agent for electron capture gas chromatography1,2

Molecule Details

References

PubChem Literature

From Data Sources

• Reagent for derivatization of alcohols, carboxylic acids, sulfonamides, etc. for GC: J. Chromat., 107, 327 (1975).

References

Bioactivity

PubChem BioAssay

Bioactivity