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About This Item
Linear Formula:
BrCH2CO2CH(CH3)2
CAS Number:
Molecular Weight:
181.03
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
99%
refractive index
n20/D 1.444 (lit.)
bp
59-61 °C/10 mmHg (lit.)
density
1.399 g/mL at 25 °C (lit.)
functional group
bromo
ester
SMILES string
CC(C)OC(=O)CBr
InChI
1S/C5H9BrO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
InChI key
JCWLEWKPXYZHGQ-UHFFFAOYSA-N
Related Categories
Application
Isopropyl bromoacetate has been used in the synthesis of biaryl sulphonamide derivatives.
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Design and SAR of selective T-type calcium channel antagonists containing a biaryl sulfonamide core.
Jon J Hangeland et al.
Bioorganic & medicinal chemistry letters, 18(2), 474-478 (2007-12-28)
T-type calcium channel antagonists were designed using a protocol involving the program SPROUT and constrained by a ComFA-based pharmacophore model. Scaffolds generated by SPROUT were evaluated based on their ability to be translated into structures that were synthetically tractable. From
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