CAS 2113-57-7 3-Bromobiphenyl - Materials / Alfa Chemistry

NAVIGATION

3-Bromobiphenyl

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Catalog Number

ACM2113577-1

CAS Number

2113-57-7

Product Name

3-Bromobiphenyl

Structure

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

3-BROMODIPHENYL;3-BROMOBIPHENYL;BROMOBIPHENYL(3-);PBBNO2;1,1'-(biphenyl,3-bromo-;1,1'-biphenyl,3-bromo-(3-bromobiphenyl);3-Bromo-1,1-biphenyl;3-bromo-1'-biphenyl

Description

3-bromobiphenyl is a clear yellow viscous liquid. Insoluble in water. (NTP, 1992)

IUPAC Name

1-bromo-3-phenylbenzene

Molecular Weight

233.1

Molecular Formula

C12H9Br

Canonical SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H

InChI Key

USYQKCQEVBFJRP-UHFFFAOYSA-N

Boiling Point

570 to 574 °F at 760 mm Hg (NTP, 1992);300.0 °C

Melting Point

300.0 °C

Flash Point

110°C

Purity

95%+

Density

1.398 g/ml at 25°C(lit.)

Solubility

Insoluble (NTP, 1992)

Application

3-Bromobiphenyl is a colorless to pale yellow liquid primarily utilized in various industrial applications as an important organic synthesis intermediate. It plays a crucial role in the pharmaceutical and liquid crystal industries due to its unique chemical properties. The compound is also employed in developing advanced electrochemical immunosensors, specifically those based on poly(dopamine) coated gold nanoclusters, aimed at detecting brominated flame retardants. Despite its industrial utility, 3-Bromobiphenyl belongs to the polybrominated biphenyls (PBBs) group, which are synthetic organic compounds historically used as flame retardants. These compounds have been largely banned or restricted because of their environmental persistence and toxicity concerns. Nevertheless, the demand for 3-Bromobiphenyl, particularly in Japan and South Korea, has been rising, especially among companies engaged in liquid crystal display production.

Complexity

149

Covalently-Bonded Unit Count

EC Number

218-304-9

Exact Mass

231.98876g/mol

Formal Charge

Hazard Statements

Heavy Atom Count

Log P

4.85 (LogP)