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345717

Sigma-Aldrich

1-Bromo-2,3-difluorobenzene

98%

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About This Item

Linear Formula:
BrC6H3F2
CAS Number:
38573-88-5
Molecular Weight:
192.99
MDL number:
MFCD00061136
UNSPSC Code:
12352100
PubChem Substance ID:
24861344

assay

98%

form

liquid

refractive index

n20/D 1.509 (lit.)

density

1.724 g/mL at 25 °C (lit.)

SMILES string

Fc1cccc(Br)c1F

InChI

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

InChI key

RKWWASUTWAFKHA-UHFFFAOYSA-N

General description

Microbial oxidation of 1-bromo-2,3-difluorobenzene by Pseudomonas putida strain 39/D and Escherichia coli recombinant microorganism (strain JM 109(pDTG601)) has been reported.

Application

1-Bromo-2,3-difluorobenzene may be used in the synthesis of potent, orally active Calcitonin gene-related peptide (CGRP) receptor antagonist (BMS-846372). It may be used in the preparation of 2,3-difluorophenyl(dimethyl)phosphane.

pictograms

Exclamation mark
GHS07

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

141.8 °F - closed cup

flash_point_c

61 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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Reaction of chloropentafluorobenzene and 2, 3-and 2, 6-difluorobromobenzenes with lithium dimethylphosphide.
Goryunov LI, et al.
Russ. J. Org. Chem., 45(12), 1859-1861 (2009)
New metabolites from the microbial oxidation of fluorinated aromatic compounds.
Hudlicky T, et al.
Journal of Fluorine Chemistry, 89(1), 23-30 (1998)
Guanglin Luo et al.
ACS medicinal chemistry letters, 3(4), 337-341 (2012-04-12)
Calcitonin gene-related peptide (CGRP) receptor antagonists have been clinically shown to be effective in the treatment of migraine, but identification of potent and orally bioavailable compounds has been challenging. Herein, we describe the conceptualization, synthesis, and preclinical characterization of a

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