4,4'-Dibromooctafluorobiphenyl
Product Information
Molecular Formula
C12Br2F8
Molecular Weight
455.92
Description
4,4'-Dibromooctafluorobiphenyl (CAS# 10386-84-2) is used in the screening of brominated flame retardants and phenolic endocrine disrupters in Finnish human adipose tissue.
Synonyms
1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
IUPAC Name
1-bromo-4-(4-bromo-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzene
SMILES
C1(=C(C(=C(C(=C1F)F)Br)F)F)C2=C(C(=C(C(=C2F)F)Br)F)F
InChI
InChI=1S/C12Br2F8/c13-3-9(19)5(15)1(6(16)10(3)20)2-7(17)11(21)4(14)12(22)8(2)18
InChI Key
YXLMNFVUNLCJJY-UHFFFAOYSA-N
Boiling Point
295.4 °C at 760 mmHg
Melting Point
113-115 °C (lit.)
Purity
> 95.0 % (GC)
Density
2.065 g/cm3
Appearance
Colorless oily liquid.
Storage
Sealed in dry, Room Temperature
LogP
5.99140
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
5.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
1
Exact Mass
455.82185 g/mol
Monoisotopic Mass
453.82390 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
333
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-111393256-A | Synthetic method of 2,2',3,3',5,5',6,6' -octafluoro-4, 4' -dibromobiphenyl | 2020-01-08 |
| CN-112110789-A | Synthetic method of 2,2',3,3',5,5',6,6' -octafluoro-4-halobiphenyl | 2020-01-08 |
| CN-113087590-A | Synthetic method of 2,2',3,3',5,5',6,6' -octafluorobiphenyl | 2020-01-08 |
| CN-113087591-A | Preparation method of 2,2',3,3',5,5',6,6' -octafluorobiphenyl | 2020-01-08 |
| CN-113087592-A | Synthetic method of 4,4' -dibromo octafluorobiphenyl | 2020-01-08 |
| WO-2019098286-A1 | Rare earth compound, light-emitting body, light-emitting device, wavelength conversion material, and security material | 2017-11-17 |
| JP-WO2019098286-A1 | Rare earth compounds, illuminants, luminescent devices, wavelength conversion materials and security materials | 2017-11-17 |
| CN-107297196-B | Fluorine-containing porous carbon material and preparation method and application thereof | 2017-08-29 |
| EP-3649472-A1 | Methods for detecting ovarian cancer | 2017-07-05 |
| WO-2019008009-A1 | METHODS OF DETECTING OVARIAN CANCER | 2017-07-05 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21429189 | 2011-03-23 | Metabolome in schizophrenia and other psychotic disorders: a general population-based study | Genome medicine |
| 21510413 | 2011-02-01 | [Synthesis and spectral properties of a novel fluorinated triphenylamine derivative] | Guang pu xue yu guang pu fen xi = Guang pu |
| 22125765 | 2011-01-01 | Relationship between PAHs Concentrations in Ambient Air and Deposited on Pine Needles | Environmental health and toxicology |
| 11173419 | 2001-01-01 | 4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl | Acta crystallographica. Section C, Crystal structure communications |
