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247952

Sigma-Aldrich

2-Bromo-1,4-difluorobenzene

98%

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About This Item

Linear Formula:
BrC6H3F2
CAS Number:
399-94-0
Molecular Weight:
192.99
EC Number:
206-920-0
MDL number:
MFCD00000345
UNSPSC Code:
12352100
PubChem Substance ID:
24854903
NACRES:
NA.22

Assay

98%

form

liquid

refractive index

n20/D 1.508 (lit.)

bp

58-59 °C/20 mmHg (lit.)

mp

−31 °C (lit.)

density

1.708 g/mL at 25 °C (lit.)

functional group

bromo
fluoro

SMILES string

Fc1ccc(F)c(Br)c1

InChI

1S/C6H3BrF2/c7-5-3-4(8)1-2-6(5)9/h1-3H

InChI key

XCRCSPKQEDMVBO-UHFFFAOYSA-N

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General description

Lithiation of 2-bromo-1,4-difluorobenzene in the presence of lithium diisopropylamide (LDA) in THF-hexane, butyllithium in diethyl ether-hexane and butyllithium in THF-hexane has been reported.

Application

2-Bromo-1,4-difluorobenzene has been used in the preparation of 1,4-difluoroanthraquinone, a precursor to ametantrone.

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)

149.0 °F - closed cup

Flash Point(C)

65 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP8812
MKCM2261
MKCB2400V
MKBW3199V
09725AJ

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Synthesis of fluorine-substituted anthraquinones and aza-anthraquinones.
Khanapure SP, et al.
Journal of Fluorine Chemistry, 68(2), 131-134 (1994)
The lithiation of fluorinated benzenes and its dependence on solvent and temperature.
Coe PL, et al.
Journal of the Chemical Society. Perkin Transactions 1, 21, 2729-2737 (1995)

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