CAS 327-75-3|2,4-Bis(trifluoromethyl)bromobenzene|1-bromo-2,4-bis(trifluoromethyl)benzene|1-bromo-2,4-bis(trifluoromethyl)benzene|1,3-Bis(trifluoromethyl)-4-bromobenzene|2,4-Bis(trifluoromethyl)brom...

General Information

Structure

Molecular Formula

C₈H₃BrF₆

Molecular Mass

293.0038392

Exact Mass

291.93223142

Charge

InChI

InChI=1S/C8H3BrF6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13,14)15/h1-3H

InChIKey

QDEJWLIKRLJYEK-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc(cc1C(F)(F)F)C(F)(F)F

Isomeric Smiles

c1(Br)c(C(F)(F)F)cc(C(F)(F)F)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.4976954

LogD (pH = 7.4)

4.4976954

Log P

4.4976954

Molar Refractivity

45.6282

Polarizability

16.477602

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-bromo-2,4-bis(trifluoromethyl)benzene

Synonyms

2,4-Bis(trifluoromethyl)bromobenzene2,4-Bis(trifluoromethyl)bromobenzene 98%1,3-Bis(trifluoromethyl)-4-bromobenzene2,4-Bis(trifluoromethyl)bromobenzene2,4-双(三氟甲基)溴苯4-Bromo-1,3-bis(trifluoromethyl)benzene4-溴-1,3-双(三氟甲基)苯2,4-Ditrifluoromethylbromobenzene2,4-Bis(trifluoromethyl)bromobenzene1-Bromo-2,4-bis(trifluoromethyl)benzene1-Bromo-2,4-bis(trifluoromethyl)benzene

IUPAC name

1-bromo-2,4-bis(trifluoromethyl)benzene

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID