CAS 115-20-8|trichloroethanol|1-Hydroxy-2,2,2-trichloroethane|2,2,2-trichloroethan-1-ol|2,2,2-Trichloroethan-1-ol|2,2,2-TRICHLOROETHANOL|Trichloroethyl Alcohol|2,2,2-Trichloroethanol|2,2,2-三氯乙醇|...

基本信息

化学结构

分子式

C₂H₃Cl₃O

分子量

149.40362

精确质量

147.92494776

电荷

InChI

InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2

InChIKey

KPWDGTGXUYRARH-UHFFFAOYSA-N

Canonic Smiles

OCC(Cl)(Cl)Cl

Isomeric Smiles

ClC(Cl)(CO)Cl

计算属性

JChem

Acid pKa

12.510456

质子受体

质子供体

LogD (pH = 5.5)

1.0565789

LogD (pH = 7.4)

1.0565755

Log P

1.056579

摩尔折射率

28.2158

极化性

10.888914

极化表面积

20.23

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传统名

trichloroethanol

别名

1-Hydroxy-2,2,2-trichloroethane2,2,2-Trichloroethan-1-ol2,2,2-TRICHLOROETHANOLTrichloroethyl Alcohol2,2,2-Trichloroethanol2,2,2-三氯乙醇三氯乙醇TrichloroethanolTrichloroethanol

IUPAC标准名

2,2,2-trichloroethan-1-ol

名称和标识

数据登录号

EC号

204-071-0

PubChem SID

2490028416207547224889448

MDL号

Beilstein号

CAS号

PubChem CID

维基百科标题

2,2,2-Trichloroethanol

Chemspider ID

美国药典/FDA物质标识码

KEGG ID

CHEBI ID

CHEMBL

默克索引号

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

02156977

1 ml = approx. 1.53 g

Wikipedia

2,2,2-Trichloroethanol

Sigma Aldrich

T54801

包装
100, 500 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

91120

Caution
储存中可能变成棕色
Other Notes
一种疏水性蛋白荧光猝灭剂，可感测色氨酸残基附近疏水结构域的存在1,2

描述信息

参考文献

PubChem文献

数据源提供

• Similarly, carbonyl compounds can be protected as their trichloroethyl acetals, stable to base, but readily cleaved under neutral aprotic conditions by Zn in ethyl acetate or THF: J. Org. Chem., 38, 554 (1973).

• Carboxyl groups can be protected as their trichloroethyl esters e.g. by tosic acid-catalyzed esterification: Synthesis, 24 (1979), or DCC-DMAP: J. Am. Chem. Soc., 111, 669 (1989). For esterification of amino acids, using the active ester with 2-Hydroxypyridine, A14522, see: Synthesis, 24 (1979). Cleavage occurs with Zn in AcOH or an aqueous THF buffer under mild conditions: J. Am. Chem. Soc., 88, 852 (1966); Synthesis, 457 (1976); or with NaBH₄ in DMF, catalyzed by Se: Synthesis, 693 (1989). See also Appendix 6.

• Reaction with POCl₃ to give the phosphorodichloridate, followed by reaction with 3-Hydroxypropionitrile, L12570, gives 2-cyanoethyl 2,2,2-trichloroethyl phosphorochloridate, a valuable reagent, usually used without purification, for the phosphorylation of nucleosides: Synthesis, 831 (1980).

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

trichloroethanol

别名

1-Hydroxy-2,2,2-trichloroethane2,2,2-Trichloroethan-1-ol2,2,2-TRICHLOROETHANOLTrichloroethyl Alcohol2,2,2-Trichloroethanol2,2,2-三氯乙醇三氯乙醇TrichloroethanolTrichloroethanol

IUPAC标准名

2,2,2-trichloroethan-1-ol

数据登录号

EC号

204-071-0

PubChem SID

2490028416207547224889448

MDL号

MFCD00004677

Beilstein号

1697495

CAS号