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| CAS No.: | 53020-08-9 |
|---|---|
| Name: | Methyl 2-(bromomethyl)-3-furoate |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C7H7BrO3 |
| Molecular Weight: | 219.035 |
| Synonyms: | 2-Bromomethyl-furan-3-carboxylicacid methyl ester;Methyl 2-(bromomethyl)-3-furoate;Methyl 2-bromomethyl-3-furancarboxylate; |
| Density: | 1.568g/cm3 |
| Boiling Point: | 270.3 °C at 760 mmHg |
| Flash Point: | 117.3 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 39.44000 |
| LogP: | 1.96110 |
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Specification
The Methyl 2-(bromomethyl)-3-furoate, its cas register number is 53020-08-9. It also can be called as 3-Furancarboxylic acid,2-(bromomethyl)-, methyl ester and the IUPAC name about this chemicals is Methyl 2-(bromomethyl)furan-3-carboxylate. Except these safety informations, there are also exist other data like Furans, Benzofurans & Dihydrobenzofurans, Methyl Halides, Furans, Benzofurans & Dihydrobenzofurans, Methyl Halides and so on.
The Methyl 2-(bromomethyl)-3-furoate is a dangerous chemical, because it irritating to eyes, respiratory system and skin. In the using process, please be more careful, you need to wear suitable protective clothing, gloves and eye/face protection and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Following are the chemical properties about Methyl 2-(bromomethyl)-3-furoate: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 39.44Å2; (5)Index of Refraction: 1.527; (6)Molar Refractivity: 42.97 cm3; (7)Molar Volume: 139.6 cm3; (8)Polarizability: 17.03x10-24cm3; (9)Surface Tension: 41.8 dyne/cm; (10)Enthalpy of Vaporization: 50.85 kJ/mol; (11)Vapour Pressure: 0.00689 mmHg at 25°C
This chemical can be described computed from structure:
(1)Canonical SMILES: COC(=O)C1=C(OC=C1)CBr
(2)InChI: InChI=1S/C7H7BrO3/c1-10-7(9)5-2-3-11-6(5)4-8/h2-3H,4H2,1H3
(3)InChIKey: SOPVGIIHUGGHGO-UHFFFAOYSA-N