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| CAS No.: | 14757-78-9 |
|---|---|
| Name: | 3-BROMO-2-FORMYLFURAN |
| Article Data: | 23 |
| Molecular Structure: | |
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|
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| Formula: | C5H3BrO2 |
| Molecular Weight: | 174.982 |
| Synonyms: | 3-Bromofurfural;2-Furaldehyde,3-bromo- (8CI);3-Bromo-2-formylfuran;3-Bromo-2-furaldehyde;3-Bromofuran-2-carboxaldehyde; |
| Density: | 1.748 g/cm3 |
| Boiling Point: | 219.616 °C at 760 mmHg |
| Flash Point: | 86.621 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 30.21000 |
| LogP: | 1.85460 |
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- Total:36 Page 1 of 1 1
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Specification
This chemical is called 2-Furancarboxaldehyde, 3-bromo-, and its systematic name is 3-bromofuran-2-carbaldehyde. With the molecular formula of C5H3BrO2, its CAS registry number is 14757-78-9. Additionally, its product categories are Furan & Benzofuran; Furan; Halogenated; Organohalides.
Other characteristics of the 2-Furancarboxaldehyde, 3-bromo- can be summarised as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 30.21 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 32.99 cm3; (9)Molar Volume: 100 cm3; (10)Polarizability: 13.08×10-24cm3; (11)Surface Tension: 43.3 dyne/cm; (12)Density: 1.748 g/cm3; (13)Flash Point: 86.6 °C; (14)Enthalpy of Vaporization: 45.6 kJ/mol; (15)Boiling Point: 219.6 °C at 760 mmHg; (16)Vapour Pressure: 0.118 mmHg at 25°C.
Production method of this chemical: The 2-Furancarboxaldehyde, 3-bromo- could be obtained by the reactants of 3-bromo-furan and N,N-dimethyl-formamide. This reaction needs the reagent of phosphorus oxychloride, and the yield is 86 %.
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Uses of this chemical: The 2-Furancarboxaldehyde, 3-bromo- could react with benzene, and obtain the 3-phenylfuran-2-carbaldehyde. This reaction should be taken for 2 hours with the irradiation. The yield is 31 %.
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You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1occc1Br
2.InChI: InChI=1/C5H3BrO2/c6-4-1-2-8-5(4)3-7/h1-3H
3.InChIKey: KSAVZSUPQGDMRC-UHFFFAOYAY