4-Bromofuran-2-carboxylic acid methyl ester supplier

Name
METHYL4-BROMOFURAN-2-CARBOXYLATE
EINECS
CAS No. 58235-80-6
Article Data1
CAS DataBase
Density 1.623 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 4-bromo-2-furoate;Methyl 4-bromofuran-2-carboxylate;
PSA 39.44000
LogP 1.82870

4-Bromofuran-2-carboxylic acid methyl ester Specification

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

Product Name

METHYL4-BROMOFURAN-2-CARBOXYLATE

4-Bromofuran-2-carboxylic acid methyl ester Specification

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