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102016

Sigma-Aldrich

1,3-Dibromotetrafluorobenzene

96%

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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

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This Item
100161113263523429
assay

96%

assay

≥97%

assay

96%

assay

97%

Quality Level

100

Quality Level

100

Quality Level

100

Quality Level

100

bp

200 °C (lit.)

bp

198 °C (lit.)

bp

203 °C (lit.)

bp

-

refractive index

n20/D 1.516 (lit.)

refractive index

n20/D 1.516 (lit.)

refractive index

n20/D 1.488 (lit.)

refractive index

-

density

2.18 g/mL at 25 °C (lit.)

density

2.238 g/mL at 25 °C (lit.)

density

0.856 g/mL at 25 °C (lit.)

density

-

functional group

bromo

functional group

bromo, fluoro

functional group

-

functional group

bromo, ketone

General description

1,3-Dibromotetrafluorobenzene is a colorless liquid. 1,3-Dibromotetrafluorobenzene crystallizes with 4,4′-dipyridyl to form the noncovalent copolymers[1].

Application

1,3-Dibromotetrafluorobenzene was used to prepare starting compounds for the synthesis of fluorinated liquid crystal derivatives[2]. It was also used in the synthesis of halogen bonded adducts by undergoing In situ cryocrystallization with various oxygenated solvents[3].

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

198.0 °F - closed cup

flash_point_c

92.2 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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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
C?BrO supramolecular synthon: in situ cryocrystallography of low melting halogen-bonded complexes.
CrystEngComm, 14(13), 4259-4261 (2012)
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)

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