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...

基本信息

化学结构

分子式

C₈H₃BrF₆

分子量

293.0038392

精确质量

291.93223142

电荷

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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.4976954

LogD (pH = 7.4)

4.4976954

Log P

4.4976954

摩尔折射率

45.6282

极化性

16.477602

极化表面积

0.0

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

2,4-Bis(trifluoromethyl)bromobenzene1,3-Bis(trifluoromethyl)-4-bromobenzene2,4-Bis(trifluoromethyl)bromobenzene 98%4-溴-1,3-双(三氟甲基)苯2,4-双(三氟甲基)溴苯4-Bromo-1,3-bis(trifluoromethyl)benzene2,4-Bis(trifluoromethyl)bromobenzene2,4-Ditrifluoromethylbromobenzene2,4-Bis(trifluoromethyl)bromobenzene1-Bromo-2,4-bis(trifluoromethyl)benzene1-Bromo-2,4-bis(trifluoromethyl)benzene

IUPAC标准名

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

IUPAC传统名

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

名称和标识

数据登录号

MDL号

MFCD00074904

CAS号

327-75-3

PubChem SID

16097284424859850