Methyl 2-bromo-3-furoate supplier

Name
METHYL 2-BROMO-3-FUROATE
EINECS
CAS No. 197846-06-3
Article Data7
CAS DataBase
Density 1.623 g/cm³
Solubility
Melting Point 49.5-51.5 °C
Formula C₆H₅BrO₃
Boiling Point 205.02 °C at 760 mmHg
Molecular Weight 205.008
Flash Point 77.794 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromofuran-3-carboxylicacid methyl ester;Methyl 2-bromofuran-3-carboxylate;
PSA 39.44000
LogP 1.82870

Methyl 2-bromo-3-furoate Specification

The Methyl 2-bromo-3-furoate, with the CAS registry number 197846-06-3, is also known as Methyl 2-bromofuran-3-carboxylate. This chemical's molecular formula is C₆H₅BrO₃ and molecular weight is 205.01. What's more, its systematic name is Methyl 2-bromo-3-furoate.

Physical properties of Methyl 2-bromo-3-furoate are: (1)ACD/LogP: 1.473; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.76; (6)ACD/BCF (pH 7.4): 7.76; (7)ACD/KOC (pH 5.5): 150.85; (8)ACD/KOC (pH 7.4): 150.85; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 38.016 cm³; (15)Molar Volume: 126.306 cm³; (16)Polarizability: 15.071×10^-24cm³; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.623 g/cm³; (19)Flash Point: 77.794 °C; (20)Enthalpy of Vaporization: 44.125 kJ/mol; (21)Boiling Point: 205.02 °C at 760 mmHg; (22)Vapour Pressure: 0.3 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccoc1Br
(2)Std. InChI: InChI=1S/C6H5BrO3/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,1H3
(3)Std. InChIKey: XXUUZVIMSVBWIQ-UHFFFAOYSA-N

Product Name

METHYL 2-BROMO-3-FUROATE

Methyl 2-bromo-3-furoate Specification

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