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|...

General Information

Structure

Molecular Formula

C₂H₃Cl₃O

Molecular Mass

149.40362

Exact Mass

147.92494776

Charge

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

Calculated Properties

JChem

Acid pKa

12.510456

H Acceptors

H Donor

LogD (pH = 5.5)

1.0565789

LogD (pH = 7.4)

1.0565755

Log P

1.056579

Molar Refractivity

28.2158

Polarizability

10.888914

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

trichloroethanol

Synonyms

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

IUPAC name

2,2,2-trichloroethan-1-ol

Names and Identifiers

Registration numbers

PubChem SID

2490028416207547224889448

MDL Number

Beilstein Number

CAS Number

EC Number

PubChem CID

Wikipedia Title

2,2,2-Trichloroethanol

KEGG ID

C07490

Chemspider ID

7961

Unique Ingredient Identifier

CHEBI ID

CHEMBL

Merck Index

Registration numbers

Properties

Safety Information

Harmful/Corrosive/Hygroscopic

Hygroscopic

Corrosive (C)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

MP Biomedicals

02156977

1 ml = approx. 1.53 g

Wikipedia

2,2,2-Trichloroethanol

Sigma Aldrich

T54801

Packaging
100, 500 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

91120

Caution
may discolor to brown on storage
Other Notes
A hydrophobic quencher of protein fluorescence, senses the presence of a hydrophobic domain in the vicinity of the tryptophan residues1,2

Molecule Details

References

PubChem Literature

From Data Sources

• 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.

• 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).

• 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).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

trichloroethanol

Synonyms

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

IUPAC name

2,2,2-trichloroethan-1-ol

Registration numbers

PubChem SID

2490028416207547224889448

MDL Number

Beilstein Number

CAS Number

EC Number

PubChem CID

Wikipedia Title

2,2,2-Trichloroethanol

KEGG ID

C07490

Chemspider ID

7961

Unique Ingredient Identifier

CHEBI ID

CHEMBL

Merck Index

Molecule Details

1 ml = approx. 1.53 g

Wikipedia

2,2,2-Trichloroethanol

Sigma Aldrich

T54801

Packaging
100, 500 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

91120

Caution
may discolor to brown on storage
Other Notes
A hydrophobic quencher of protein fluorescence, senses the presence of a hydrophobic domain in the vicinity of the tryptophan residues1,2

References

PubChem Literature

From Data Sources

Bioactivity

PubChem BioAssay

Properties

Safety Information

Harmful/Corrosive/Hygroscopic

Hygroscopic

Corrosive (C)

Molecule

ID:88531