CAS 591-18-4 3-Bromo-1-iodobenzene - Materials / Alfa Chemistry

NAVIGATION

3-Bromo-1-iodobenzene

PRICE INQUIRY

Catalog Number

ACM591184-1

CAS Number

591-18-4

Product Name

3-Bromo-1-iodobenzene

Structure

Category

Organic Light-Emitting Diode (OLED) Materials

IUPAC Name

1-bromo-3-iodobenzene

Molecular Weight

282.9g/mol

Molecular Formula

C6H4BrI

Canonical SMILES

C1=CC(=CC(=C1)I)Br

InChI

InChI=1S/C6H4BrI/c7-5-2-1-3-6(8)4-5/h1-4H

InChI Key

CTPUUDQIXKUAMO-UHFFFAOYSA-N

Boiling Point

252.0 °C

Melting Point

-9.3 °C

Application

3-Bromo-1-iodobenzene is a versatile compound primarily used in the synthesis of complex organic molecules. It serves as a key reagent in the preparation of 3'-bromo-2,3,4,5,6-pentaethyl-biphenyl through its reaction with hex-3-yne. Additionally, it is instrumental in the synthesis of fluorinated compounds such as 1-(3'-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene and 1-(3'-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene. Beyond these applications, it is also used in developing oxygen-tethered 1,6-enynes. This compound is light sensitive and requires careful storage in a cool place to maintain its stability, as it is incompatible with strong oxidizing agents, bases, and acids.

Complexity

74.9

Covalently-Bonded Unit Count

EC Number

209-703-9

Exact Mass

281.85411g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

281.85411g/mol

Rotatable Bond Count