345717
1-Bromo-2,3-difluorobenzene
98%
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About This Item
Linear Formula:
BrC6H3F2
CAS Number:
Molecular Weight:
192.99
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
98%
Form:
liquid
InChI
1S/C6H3BrF2/c7-4-2-1-3-5(8)6(4)9/h1-3H
SMILES string
Fc1cccc(Br)c1F
InChI key
RKWWASUTWAFKHA-UHFFFAOYSA-N
assay
98%
form
liquid
refractive index
n20/D 1.509 (lit.)
density
1.724 g/mL at 25 °C (lit.)
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
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
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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
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)
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