CAS 98-58-8|p-Bromobenzenesulfonyl Chloride|4-bromobenzene-1-sulfonyl chloride|Brosyl Chloride|(4-Bromophenyl)chlorosulfone|4'-Bromobenzenesulfonyl Chloride|4-Bromobenzenesulfonyl Chloride|4-bromobe...

基本信息

化学结构

分子式

C₆H₄BrClO₂S

分子量

255.51676

精确质量

253.88039005

电荷

InChI

InChI=1S/C6H4BrClO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H

InChIKey

KMMHZIBWCXYAAH-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc(cc1)S(=O)(=O)Cl

Isomeric Smiles

S(=O)(=O)(c1ccc(cc1)Br)Cl

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.6883016

LogD (pH = 7.4)

2.6883016

Log P

2.6883016

摩尔折射率

47.875

极化性

19.41129

极化表面积

34.14

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

(4-Bromophenyl)chlorosulfone4-Bromobenzenesulfonyl Chloridep-Bromobenzenesulfonyl Chloride4'-Bromobenzenesulfonyl ChlorideBrosyl Chloridep-Bromophenylsulfonyl Chloridep-Brosyl Chloride4-Bromophenylsulfonyl Chloride4-Bromobenzene-1-sulfonyl ChlorideNSC 4506p-BROMOBENZENESULFONYL CHLORIDE4-Bromobenzenesulphonyl chloride4-溴苯磺酰氯4-溴-苯磺酰氯4-Bromobenzenesulfonyl chloride

IUPAC标准名

4-bromobenzene-1-sulfonyl chloride

IUPAC传统名

4-bromobenzenesulfonyl chloride 4-bromobenzene-1-sulfonyl chloride

名称和标识

数据登录号

PubChem CID

7396

CAS号

98-58-8

PubChem SID

1620766312485003424846817

MDL号

默克索引号

Beilstein号

EC号

数据登录号

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

MP Biomedicals

02154864

Crystalline

Sigma Aldrich

108669

包装
25, 100 g in glass bottle

TRC

B680170

Used for identification of amines, and also in the synthesis and inhibition studies of substituted N-L-histidinylphenylsulfonyl hydrazide.

描述信息

参考文献

PubChem文献

数据源提供

• Teng, H., et al.: Biochemistry, 38, 7363 (1999)

• Abdo, M., et al.: Bioorg. Med. Chem., 15, 4427 (1999)

• Alcohols are converted to 4-brombenzenesulfonate ("brosylate") esters with enhanced leaving group ability relative to the commoner tosylate; see, e.g.: Carbohydr. Res., 46, 53 (1976).

• In the presence of potassium carbonate and a phase-transfer catalyst, N,N'-disubstituted ureas are dehydrated to carbodiimides in high yield: Synthesis, 520 (1987).

• Used in protection of amines as 4-bromobenzenesulfonamides: Synth. Commun., 18, 1615 (1988); Tetrahedron Lett., 30, 2399 (1989).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC标准名

4-bromobenzene-1-sulfonyl chloride

IUPAC传统名

4-bromobenzenesulfonyl chloride 4-bromobenzene-1-sulfonyl chloride

数据登录号

PubChem CID

7396

CAS号

98-58-8

PubChem SID

1620766312485003424846817

MDL号

默克索引号

Beilstein号

EC号

描述信息

Crystalline

108669

包装
25, 100 g in glass bottle

TRC

B680170

Used for identification of amines, and also in the synthesis and inhibition studies of substituted N-L-histidinylphenylsulfonyl hydrazide.

参考文献

PubChem文献

数据源提供

• Teng, H., et al.: Biochemistry, 38, 7363 (1999)

• Abdo, M., et al.: Bioorg. Med. Chem., 15, 4427 (1999)

• Alcohols are converted to 4-brombenzenesulfonate ("brosylate") esters with enhanced leaving group ability relative to the commoner tosylate; see, e.g.: Carbohydr. Res., 46, 53 (1976).

• In the presence of potassium carbonate and a phase-transfer catalyst, N,N'-disubstituted ureas are dehydrated to carbodiimides in high yield: Synthesis, 520 (1987).

• Used in protection of amines as 4-bromobenzenesulfonamides: Synth. Commun., 18, 1615 (1988); Tetrahedron Lett., 30, 2399 (1989).

生物活性

PubChem BioAssay

化合物性质

化合物信息

ID:89775