CAS 75-80-9|ethanol, 2,2,2-tribromo-|β-TRIBROMOETHYL ALCOHOL|2,2,2-tribromoethan-1-ol|2,2,2-Tribromoethan-1-ol|2,2,2-三溴乙醇|三溴乙醇|2,2,2-Tribromoethanol|Tribromoethyl alcohol|2,2,2-Tribromo...

General Information

Structure

Molecular Formula

C₂H₃Br₃O

Molecular Mass

282.75662

Exact Mass

279.77340072

Charge

InChI

InChI=1S/C2H3Br3O/c3-2(4,5)1-6/h6H,1H2

InChIKey

YFDSDPIBEUFTMI-UHFFFAOYSA-N

Canonic Smiles

OCC(Br)(Br)Br

Isomeric Smiles

OCC(Br)(Br)Br

Calculated Properties

JChem

Acid pKa

13.247198

H Acceptors

H Donor

LogD (pH = 5.5)

1.5076975

LogD (pH = 7.4)

1.5076969

Log P

1.5076975

Molar Refractivity

36.6413

Polarizability

14.504069

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

ethanol, 2,2,2-tribromo-

Synonyms

β-TRIBROMOETHYL ALCOHOL2,2,2-Tribromoethan-1-ol2,2,2-三溴乙醇三溴乙醇2,2,2-TribromoethanolTribromoethyl alcohol2,2,2-Tribromoethyl alcohol

IUPAC name

2,2,2-tribromoethan-1-ol

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem SID

1620432182490023124889399

PubChem CID

6400

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05219160

MP Biomedicals Rare Chemical collection

Sigma Aldrich

T48402

Packaging
5, 25, 100, 500 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Carboxyl groups can be protected as tribromoethyl esters, e.g. by reaction of the acid chloride in the presence of N,N-dimethylaniline. The group is readily cleaved with Zn/AcOH: J. Chem. Soc., Pekin 1., 2875 (1993); (cf. 2,2,2-Trichloroethanol, L08163). The group has also been exploited in the activation of carboxylic acids for amidation with amines, by reductive cleavage of the tribromoethyl ester with a P(III) reagent, preferably Hexamethylphosphorous triamide, A12571, and triethylamine. In an analogous esterification method with alcohols, tributylphosphine - DMAP was the preferred system: J. Org. Chem., 64, 1430 (1999).

References

Bioactivity

PubChem BioAssay

Bioactivity