Basic Information | Post buying leads | Suppliers |
Name |
4-Bromo-2-furoic acid |
EINECS | N/A |
CAS No. | 3439-02-9 | Density | 1.891g/cm3 |
PSA | 50.44000 | LogP | 1.74030 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Furoicacid, 4-bromo- (7CI,8CI);4-Bromo-2-furancarboxylic acid;4-Bromo-2-furoic acid; |
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