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| CAS No.: | 1899-24-7 |
|---|---|
| Name: | 5-Bromo-2-furaldehyde |
| Article Data: | 1 |
| Molecular Structure: | |
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|
|
| Formula: | C5H3BrO2 |
| Molecular Weight: | 174.982 |
| Synonyms: | 2-Furaldehyde,5-bromo- (6CI,7CI,8CI);2-Bromo-5-furancarboxaldehyde;2-Bromofuran-5-carboxaldehyde;5-Bromo-2-formylfuran;5-Bromo-2-furancarboxaldehyde;5-Bromo-2-furfural;5-Bromo-2-furylaldehyde;5-Bromofurfural; |
| EINECS: | -0 |
| Density: | 1.748 g/cm3 |
| Melting Point: | 82-85 °C(lit.) |
| Boiling Point: | 222.858 °C at 760 mmHg |
| Flash Point: | 88.6 °C |
| Appearance: | solid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36-36/37/39 |
| PSA: | 30.21000 |
| LogP: | 1.85460 |
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Specification
The 2-Furancarboxaldehyde,5-bromo-, with the CAS registry number 1899-24-7, is also known as 5-Bromo-2-furaldehyde. It belongs to the product categories of Miscellaneous; Aldehydes; Furans, Benzofurans & Dihydrobenzofurans; Furans, Benzofurans & Dihydrobenzofurans; Building Blocks; Furans;FuransHeterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks. This chemical's molecular formula is C5H3BrO2 and molecular weight is 174.98. Its IUPAC name is called 5-bromofuran-2-carbaldehyde. This chemical is solid. You should keep container tightly sealed and store in a cool, dry place, however, you should ensure that workplaces have good ventilation or exhaust.
Physical properties of 2-Furancarboxaldehyde,5-bromo-: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.643; (4)ACD/LogD (pH 7.4): 1.643; (5)ACD/BCF (pH 5.5): 10.435; (6)ACD/BCF (pH 7.4): 10.435; (7)ACD/KOC (pH 5.5): 186.491; (8)ACD/KOC (pH 7.4): 186.491; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 32.996 cm3; (14)Molar Volume: 100.079 cm3; (15)Surface Tension: 43.357 dyne/cm; (16)Density: 1.748 g/cm3; (17)Flash Point: 88.582 °C; (18)Enthalpy of Vaporization: 45.933 kJ/mol; (19)Boiling Point: 222.858 °C at 760 mmHg; (20)Vapour Pressure: 0.099 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health and may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(OC(=C1)Br)C=O
(2)InChI: InChI=1S/C5H3BrO2/c6-5-2-1-4(3-7)8-5/h1-3H
(3)InChIKey: WJTFHWXMITZNHS-UHFFFAOYSA-N