Name: 2-Bromo-3-furoic acid
SKU: 197846-05-2

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Basic Information

Molecular Structure:
CAS No.:	197846-05-2
Name:	2-Bromo-3-furoic acid
Article Data:	3

Formula:	C₅H₃BrO₃
Molecular Weight:	190.981
Synonyms:	2-Bromo-3-furoic acid;2-bromo3-Furancarboxylic acid;2-bromofuran-3-carboxylic acid;
Density:	1.891 g/cm³
Melting Point:	160.5 °C
Boiling Point:	273.5 °C at 760 mmHg
Flash Point:	119.2 °C
Hazard Symbols:	C,Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	50.44000
LogP:	1.74030

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Specification

The CAS register number of 3-Furancarboxylic acid,2-bromo- is 197846-05-2. It also can be called as 2-Bromo-3-furoic acid and the systematic name about this chemical is 2-bromofuran-3-carboxylic acid. The molecular formula about this chemical is C₅H₃BrO₃ and the molecular weight is 190.97952.

Physical properties about 3-Furancarboxylic acid,2-bromo- are: (1)ACD/LogP: 1.45; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.8; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 50.44 Å²; (10)Index of Refraction: 1.571; (11)Molar Refractivity: 33.17 cm³; (12)Molar Volume: 100.9 cm³; (13)Polarizability: 13.15x10^-24cm³; (14)Surface Tension: 54.1 dyne/cm; (15)Flash Point: 119.2 °C; (16)Enthalpy of Vaporization: 54.07 kJ/mol; (17)Boiling Point: 273.5 °C at 760 mmHg; (18)Vapour Pressure: 0.00278 mmHg at 25°C.

Uses of 3-Furancarboxylic acid,2-bromo-: it can be used to produce 2-bromo-furan-3-carboxylic acid methyl ester with sulfuric acid dimethyl ester at ambient temperature. This reaction will need reagent K₂CO₃ and solvent acetone. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ccoc1Br
(2)InChI: InChI=1/C5H3BrO3/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
(3)InChIKey: UJNWWTUUYCCIFL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H3BrO3/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
(5)Std. InChIKey: UJNWWTUUYCCIFL-UHFFFAOYSA-N