Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromofuran-2-carboxylic acid methyl ester |
EINECS | N/A |
CAS No. | 58235-80-6 | Density | 1.623 g/cm3 |
PSA | 39.44000 | LogP | 1.82870 |
Solubility | N/A | Melting Point |
42-44 °C |
Formula | C6H5BrO3 | Boiling Point | 228.057 °C at 760 mmHg |
Molecular Weight | 205.008 | Flash Point | 91.726 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 4-bromo-2-furoate;Methyl 4-bromofuran-2-carboxylate; |
Article Data | 1 |
The 2-Furancarboxylic acid, 4-bromo-, methyl ester, with the CAS registry number 58235-80-6, is also known as Methyl 4-bromo-2-furoate. This chemical's molecular formula is C6H5BrO3 and molecular weight is 205.01. What's more, its systematic name is methyl 4-bromofuran-2-carboxylate.
Physical properties of 2-Furancarboxylic acid, 4-bromo-, methyl ester are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 39.44 Å2; (7)Index of Refraction: 1.514; (8)Molar Refractivity: 38.016 cm3; (9)Molar Volume: 126.306 cm3; (10)Polarizability: 15.071×10-24cm3; (11)Surface Tension: 39.477 dyne/cm; (12)Density: 1.623 g/cm3; (13)Flash Point: 91.726 °C; (14)Enthalpy of Vaporization: 46.464 kJ/mol; (15)Boiling Point: 228.057 °C at 760 mmHg; (16)Vapour Pressure: 0.075 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(Br)co1
(2)InChI: InChI=1S/C6H5BrO3/c1-9-6(8)5-2-4(7)3-10-5/h2-3H,1H3
(3)InChIKey: RKEXKLRKXLRNMV-UHFFFAOYSA-N