5-Bromo-2-furancarboxylic acid
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5-Bromo-2-furancarboxylic acid
structure -
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CAS No:
585-70-6
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Formula:
C5H3BrO3
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Chemical Name:
5-Bromo-2-furancarboxylic acid
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Synonyms:
2-Furancarboxylic acid,5-bromo-;2-Furoic acid,5-bromo-;5-Bromo-2-furancarboxylic acid;5-Bromo-2-furoic acid;5-Bromofuroic acid;NSC 32221;5-Bromo-2-furanoic acid
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CAS No:
5-Bromo-2-furancarboxylic acid Basic Attributes
190.98000
190.98
209-559-7
32221
DTXSID40207218
2932190090
Characteristics
50.44000
1.5
1.891g/cm3
184-186 °C
281.6ºC at 760mmHg
124.1ºC
1.571
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
36
S24/25
Xi
P305 + P351 + P338
H319
|Warning|H315 (11.11%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-2-furancarboxylic acid Use and Manufacturing
The starting raw materials furan -2 - carboxylic acid (2 . 50 g, 22.3 mmol) is dissolved in glacial acetic acid (2.0 ml) and carbon tetrachloride (20.0 ml) in the mixed solvent, divided into 3 times for every six hours 20 degree Celsius, 5 minutes is slowly added bromine (0.8 ml, 13.3 mmol), keeping the reaction temperature is 60 degrees centigrade, the total stirring 24 hours, concentrated under reduced pressure to remove the solvent, the hot deionized water washing the solid, filtered and dried to obtain compound 3 (3 . 46 g, 18.1 mmol), yield 86percent.
Computed Properties
Molecular Weight:190.98
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:189.92656
Monoisotopic Mass:189.92656
Topological Polar Surface Area:50.4
Heavy Atom Count:9
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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CN
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