CAS 402-49-3|CAS 697-73-4|4-(Bromomethyl)benzotrifluoride|1-(bromomethyl)-4-(trifluoromethyl)benzene|4-(Trifluoromethyl)benzyl bromide 98%|1-(Bromomethyl)-4-(trifluoromethyl)benzene|1-(bromomethyl)-...

General Information

Structure

Molecular Formula

C₈H₆BrF₃

Molecular Mass

239.0324496

Exact Mass

237.96049685

Charge

InChI

InChI=1S/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2

InChIKey

IKSNDOVDVVPSMA-UHFFFAOYSA-N

Canonic Smiles

BrCc1ccc(cc1)C(F)(F)F

Isomeric Smiles

c1c(ccc(c1)CBr)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6238317

LogD (pH = 7.4)

3.6238317

Log P

3.6238317

Molar Refractivity

44.8821

Polarizability

16.32559

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-(Bromomethyl)benzotrifluoride4-(Trifluoromethyl)benzyl bromide 98%1-(Bromomethyl)-4-(trifluoromethyl)benzene4-(Trifluoromethyl)benzyl bromideα′-Bromo-α,α,α-trifluoro-p-xyleneα′-溴-α,α,α-三氟对二甲苯4-(三氟甲基)溴苄1-(bromomethyl)-4-(trifluoromethyl)benzene4-(Trifluoromethyl)benzyl bromide4-(溴甲基)三氟甲苯4-(三氟甲基)苄基溴alpha'-Bromo-alpha,alpha,alpha-trifluoro-p-xylene

IUPAC Traditional name

1-(bromomethyl)-4-(trifluoromethyl)benzene

IUPAC name

1-(bromomethyl)-4-(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

CAS Number

402-49-3697-73-4

MDL Number

MFCD00000403

Beilstein Number

638980