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About This Item
Linear Formula:
BrC6H3F2
CAS Number:
Molecular Weight:
192.99
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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)
141.8 °F - closed cup
Flash Point(C)
61 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
监管及禁止进口产品
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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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