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4-Bromobiphenyl

Catalog Number
ACM92660-1
CAS Number
92-66-0
Product Name
4-Bromobiphenyl
Structure
Category
Other Electronic Materials
Synonyms
1-bromo-4-phenylbenzene
Description
4-bromobiphenyl appears as colorless crystals. Insoluble in water. (NTP, 1992)
IUPAC Name
1-bromo-4-phenylbenzene
Molecular Weight
233.10
Molecular Formula
C12H9Br
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChI Key
PKJBWOWQJHHAHG-UHFFFAOYSA-N
Boiling Point
310 ºC
Melting Point
82-86 ºC
Flash Point
290 °F (NTP, 1992)
Purity
98%+
Density
0.9327 g/ml
Solubility
Insoluble (NTP, 1992);2.80e-06 M
Appearance
White to slightly yellow Crystalline
Complexity
141
Covalently-Bonded Unit Count
1
EC Number
202-176-6
Exact Mass
231.98876g/mol
Formal Charge
0
Hazard Statements
H302-H315-H319-H410
Heavy Atom Count
13
Log P
4.96 (LogP)
MeSH Entry Terms
4-bromobiphenyl
Monoisotopic Mass
231.98876g/mol
NSC Number
406933
Rotatable Bond Count
1
UNII
OE77OKH5BL
UN Number
3152
Vapor Pressure
0.00 mmHg
XLogP3
4.7
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