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102016

Sigma-Aldrich

1,3-Dibromotetrafluorobenzene

96%

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1 G
¥6,191

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¥6,191

About This Item

Linear Formula:
Br2C6F4
CAS Number:
1559-87-1
Molecular Weight:
307.87
EC Number:
216-326-3
MDL number:
MFCD00031533
UNSPSC Code:
12352100
PubChem Substance ID:
24846561
NACRES:
NA.22
Assay:
96%

¥6,191

In StockDetails

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Quality Level

100

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[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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

102016-1G:
102016-VAR:
102016-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
04909KI

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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
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)
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)

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