CAS 13630-19-8|CAS 13630-19-8|1-methyl-2-(trifluoromethyl)benzene|2-Methylbenzotrifluoride 97%|2-(Trifluoromethyl)toluene|1-methyl-2-(trifluoromethyl)benzene|2-Methylbenzotrifluoride|α,α,α-Triflu...

基本信息

化学结构

分子式

C₈H₇F₃

分子量

160.1363896

精确质量

160.04998488

电荷

InChI

InChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3

InChIKey

DVFVNJHIVAPTMS-UHFFFAOYSA-N

Canonic Smiles

Cc1ccccc1C(F)(F)F

Isomeric Smiles

c1ccc(c(c1)C(F)(F)F)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.3645158

LogD (pH = 7.4)

3.3645158

Log P

3.3645158

摩尔折射率

37.0729

极化性

13.205898

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

IUPAC标准名

1-methyl-2-(trifluoromethyl)benzene

别名

2-Methylbenzotrifluoride 97%2-(Trifluoromethyl)toluene2-Methylbenzotrifluoride2-(Trifluoromethyl)tolueneo-(Trifluoromethyl)tolueneα,α,α-Trifluoro-o-xylene2-Methyl-1-(trifluoromethyl)benzene1-Methyl-2-(trifluoromethyl)benzene1-Methyl-2-(trifluoromethyl)benzenealpha,alpha,alpha-Trifluoro-o-xylene2-甲基三氟甲苯2-Methylbenzotrifluoride

IUPAC传统名

1-methyl-2-(trifluoromethyl)benzene

名称和标识

数据登录号

CAS号

MDL号

Beilstein号

EC号