CAS 76-60-8|bromocresol green|Bromocresol Green|3,3',5,5'-Tetrabromo-<i>m</i>-cresolsulfonphthalein|3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1λ<sup>6</sup>-benzoxathiole-1,1-dione|3,3-bis...

基本信息

化学结构

分子式

C₂₁H₁₄Br₄O₅S

分子量

698.01386

精确质量

693.72954255

电荷

InChI

InChI=1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3

InChIKey

FRPHFZCDPYBUAU-UHFFFAOYSA-N

Canonic Smiles

Brc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1C)Br)O

Isomeric Smiles

O1C(c2c(cccc2)S1(=O)=O)(c1cc(c(c(c1C)Br)O)Br)c1cc(c(c(c1C)Br)O)Br

计算属性

JChem

Acid pKa

6.5694385

质子受体

质子供体

LogD (pH = 5.5)

8.174579

LogD (pH = 7.4)

6.9485455

Log P

8.210546

摩尔折射率

134.6904

极化性

52.033035

极化表面积

83.83

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

IUPAC标准名

3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1λ⁶-benzoxathiole-1,1-dione 3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione

别名

Bromocresol Green3,3',5,5'-Tetrabromo-m-cresolsulfonphthaleinBromocresol Green Sultone Form3′,3′′,5′,5′′-四溴-间甲酚磺酰酞溴甲酚绿溶液3′,3′′,5′,5′′-Tetrabromo-m-cresolsulfonephthaleinBromocresol Blue溴甲酚绿Bromocresol Green3',3'',5',5''-Tetrabromo-m-cresolsulfonephthalein溴甲酚绿磺酸内酯溴甲酚蓝Bromocresol Green solutionBromcresol GreenBROMOCRESOL GREEN, ACS

IUPAC传统名

bromocresol green

名称和标识

数据登录号

MDL号

CAS号

EC号

Beilstein号

PubChem CID

Chemspider ID

CHEMBL

PubChem SID

2484531724891515248596592485035424847166162076532

维基百科标题

Bromocresol_green

默克索引号

141386

数据登录号

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

Crystalline

ACS Reagent Grade

MP Biomedicals Rare Chemical collection

Wikipedia

Bromocresol_green

Sigma Aldrich

B0381

包装
25 g in glass bottle

17470

Application
for complexometry

32742

General description
请访问滴定中心了解更多信息。

02559

Application
即用型色谱喷雾和显色剂

114359

包装
5, 25 g in glass bottle
Application
Bromocresol Green (BCG) is a pH sensitive triphenylmethane dye useful in a variety of colorimetric detection technologies. BCG is used as a tracking dye for DNA agarose gel electrophoresis, in protein determinations and in charge-transfer complexation processes. In TLC BCG is used for visualisation of the compounds with functional groups whose pKa is below 5.0.

40-2015

Suitability
pH indicator

40-1010

Suitability
for titration

描述信息

参考文献

PubChem文献

暂无数据

点击上传数据

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC标准名

3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1λ⁶-benzoxathiole-1,1-dione 3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione

别名