4-Bromo-2-furoic acid supplier

Name
4-BROMOFURAN-2-CARBOXYLICACID
EINECS
CAS No. 3439-02-9
Density 1.891g/cm³
Solubility
Melting Point 115-127 °C
Formula C₅H₃BrO₃
Boiling Point 283.957 °C at 760 mmHg
Molecular Weight 190.981
Flash Point 125.533 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Furoicacid, 4-bromo- (7CI,8CI);4-Bromo-2-furancarboxylic acid;4-Bromo-2-furoic acid;
PSA 50.44000
LogP 1.74030

4-Bromo-2-furoic acid Specification

The 4-Bromo-2-furoic acid, with CAS registry number 3439-02-9, has the systematic name of 4-bromofuran-2-carboxylic acid. Besides this, it is also called 4-Bromo-2-furancarboxylic acid. And the chemical formula of this chemical is C₅H₃BrO₃.

Physical properties of 4-Bromo-2-furoic acid: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 50.44 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 33.173 cm³; (15)Molar Volume: 100.942 cm³; (16)Polarizability: 13.151×10^-24cm³; (17)Surface Tension: 54.191 dyne/cm; (18)Enthalpy of Vaporization: 55.23 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1cc(Br)co1
(2)InChI: InChI=1/C5H3BrO3/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
(3)InChIKey: QALYBHRYGIXHOF-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H3BrO3/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
(5)Std. InChIKey: QALYBHRYGIXHOF-UHFFFAOYSA-N

Product Name

4-BROMOFURAN-2-CARBOXYLICACID

4-Bromo-2-furoic acid Specification

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