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About This Item
Linear Formula:
Br2C6F4
CAS Number:
Molecular Weight:
307.87
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
96%
refractive index
n20/D 1.516 (lit.)
bp
200 °C (lit.)
density
2.18 g/mL at 25 °C (lit.)
functional group
bromo
fluoro
SMILES string
Fc1c(F)c(Br)c(F)c(Br)c1F
InChI
1S/C6Br2F4/c7-1-3(9)2(8)5(11)6(12)4(1)10
InChI key
UCWKDDQEZQRGDR-UHFFFAOYSA-N
General description
1,3-Dibromotetrafluorobenzene is a colorless liquid. 1,3-Dibromotetrafluorobenzene crystallizes with 4,4′-dipyridyl to form the noncovalent copolymers.
Application
1,3-Dibromotetrafluorobenzene was used to prepare starting compounds for the synthesis of fluorinated liquid crystal derivatives. It was also used in the synthesis of halogen bonded adducts by undergoing In situ cryocrystallization with various oxygenated solvents.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
198.0 °F - closed cup
Flash Point(C)
92.2 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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The Preparation and Reaction of Fluorinated Phenyl Mono-or Bis-Cadmium and Copper Reagents.
Burton DJ, et al.
Journal of Fluorine Chemistry, 52(2), 251-255 (1991)
Strategies for the synthesis of fluorinated liquid crystal derivatives from perbromofluoroaromatic systems.
Kenwright AM, et al.
Tetrahedron, 66(52), 9819-9827 (2010)
C?BrO supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes.
CrystEngComm, 14(13), 4259-4261 (2012)
Alessandra De Santis et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 9(16), 3974-3983 (2003-08-14)
The N.Br halogen bonding drives the self-assembly of 1,4-dibromotetrafluorobenzene (1 a) and its 1,3 or 1,2 analogues (1 b,c, respectively) with dipyridyl derivatives 2 a,b. The isomeric supramolecular architectures 3 a-f are obtained as cocrystals that are stable in the
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