CAS 39416-48-3|dibromane pyridine hydrobromide|PYRIDINIUM BROMIDE PERBROMIDE|bromine pyridine hydrobromide|Brom pyridine hydrobromide|三溴化吡啶鎓|Pyridinium tribromide|Pyridine hydrobromide perbrom...

General Information

Structure

Molecular Formula

C₅H₆Br₃N

Molecular Mass

319.81984

Exact Mass

316.8050352

Charge

InChI

InChI=1S/C5H5N.Br2.BrH/c1-2-4-6-5-3-1;1-2;/h1-5H;;1H

InChIKey

VDCLSGXZVUDARN-UHFFFAOYSA-N

Canonic Smiles

c1cccnc1.BrBr.Br

Isomeric Smiles

Br.BrBr.c1ccncc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.6230428

LogD (pH = 7.4)

0.75354445

Log P

0.7555734

Molar Refractivity

23.9011

Polarizability

9.4423685

Polar Surface Area

12.89

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

dibromane pyridine hydrobromide

Synonyms

PYRIDINIUM BROMIDE PERBROMIDEPyridinium tribromidePyridine hydrobromide perbromide三溴化吡啶鎓Pyridinium bromide perbromide

IUPAC Traditional name

bromine pyridine hydrobromide Brom pyridine hydrobromide

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

EC Number

Merck Index

MDL Number

Beilstein Number

Registration numbers

Properties

Product Information

Certificate of Analysis

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Purity

tech. 90%

Physical Property

Melting Point

128-136°C

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05218518

MP Biomedicals Rare Chemical collection

Molecule Details

References

PubChem Literature

From Data Sources

• Selective monobromination of anilines, predominantly at the para-position, can be effected in THF: Synth. Commun., 23, 855 (1993). In aqueous AcOH, alkyl aryl ethers are p-brominated in high yield: Synth. Commun., 28, 499 (1998), whereas aryl methyl ethers are demethylated on heating in xylene: Indian J. Chem., 33B, 288 (1994). Cleaves thioacetals in the presence of TBAB: J. Org. Chem., 46, 1745 (1981).

• Stable, crystalline, readily-handled source of bromine, useful for a wide range of brominations, including ɑ-bromination of ketones: J. Am. Chem. Soc., 70, 417 (1948), and conversion of alkenes to vic-dibromides. See, for example: Org. Synth. Coll., 5, 604 (1973), Note 2. The rate of addition to alkenes increases markedly on increased substitution, so that selective bromination of the more substituted of two double bonds can be achieved: Synthesis, 966 (1979).

• In pyridine, cyclopentenones are converted directly to their ɑ-bromo derivatives (addition-elimination): Synth. Commun., 18, 1323 (1988).

References

Bioactivity

PubChem BioAssay

Bioactivity