CAS 513-31-5|2,3-dibromoprop-1-ene|2,3-dibromo-1-propene|2,3-DIBROMO-1-PROPENE|2,3-Dibromopropene|2,3-二溴丙烯|2,3-Dibromo-1-propene|2,3-二溴-1-丙烯

General Information

Structure

Molecular Formula

C₃H₄Br₂

Molecular Mass

199.87186

Exact Mass

197.86797413

Charge

InChI

InChI=1S/C3H4Br2/c1-3(5)2-4/h1-2H2

InChIKey

YMFWYDYJHRGGPF-UHFFFAOYSA-N

Canonic Smiles

BrCC(=C)Br

Isomeric Smiles

BrCC(=C)Br

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.1542308

LogD (pH = 7.4)

2.1542308

Log P

2.1542308

Molar Refractivity

30.9927

Polarizability

11.943496

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2,3-dibromoprop-1-ene

IUPAC Traditional name

2,3-dibromo-1-propene

Synonyms

2,3-DIBROMO-1-PROPENE2,3-Dibromopropene2,3-二溴丙烯2,3-Dibromo-1-propene2,3-二溴-1-丙烯

Names and Identifiers

Registration numbers

CAS Number

513-31-5

EC Number

208-155-8

PubChem SID

248467182486108716209371324861090

Beilstein Number

MDL Number

PubChem CID

Merck Index

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

05205102

MP Biomedicals Rare Chemical collection

Sigma Aldrich

34293

Caution
may discolor to brown on storage

106003

Packaging
25, 100 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Reacts with hexamethylenetetramine to give 2-bromoallylamine, and with primary amines, e.g. ethylamine, to give N-ethyl-2-bromoallylamines: Org. Synth. Coll., 5, 121, 124 (1973).

• Couples with Grignards to give 2-bromo-1-alkenes, intermediates in the synthesis of terminal alkynes by dehydrobromination: Org. Synth. Coll., 1, 186, 191 (1941). Coupling of the vinylic bromide with a second organomagnesium molecule, mediated by a Ni complex, allows the introduction of two different substituents: Synthesis, 1034 (1987):

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

2,3-dibromoprop-1-ene

IUPAC Traditional name

2,3-dibromo-1-propene

Synonyms

2,3-DIBROMO-1-PROPENE2,3-Dibromopropene2,3-二溴丙烯2,3-Dibromo-1-propene2,3-二溴-1-丙烯

Registration numbers

CAS Number

513-31-5

EC Number

208-155-8

PubChem SID

248467182486108716209371324861090

Beilstein Number

MDL Number

PubChem CID

Merck Index

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

34293

Caution
may discolor to brown on storage

106003

Packaging
25, 100 g in glass bottle

References

PubChem Literature

From Data Sources

• Reacts with hexamethylenetetramine to give 2-bromoallylamine, and with primary amines, e.g. ethylamine, to give N-ethyl-2-bromoallylamines: Org. Synth. Coll., 5, 121, 124 (1973).

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:107813