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| CAS No.: | 99660-97-6 |
|---|---|
| Name: | 3,5-DIBROMOBENZO[B]FURAN |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H4Br2O |
| Molecular Weight: | 275.92 |
| Synonyms: | 3,5-Dibromo-1-benzofuran; |
| Density: | 1.989 g/cm3 |
| Melting Point: | 77 °C |
| Boiling Point: | 294.852 °C at 760 mmHg |
| Flash Point: | 132.122 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 22-26-36/37/39 |
| PSA: | 13.14000 |
| LogP: | 3.95780 |
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Specification
The 3,5-Dibromobenzo[b]furan, with the CAS registry number 99660-97-6, is also known as 3,5-Dibromo-1-benzofuran. It belongs to the product categories of Furans, Benzofurans & Dihydrobenzofurans; Halides;Furans, Benzofurans & Dihydrobenzofurans. This chemical's molecular formula is C8H4Br2O and molecular weight is 275.92. Its IUPAC name and systematic name are the same which is called 3,5-dibromo-1-benzofuran.
Physical properties of 3,5-Dibromobenzo[b]furan: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.917; (4)ACD/LogD (pH 7.4): 3.917; (5)ACD/BCF (pH 5.5): 558.559; (6)ACD/BCF (pH 7.4): 558.559; (7)ACD/KOC (pH 5.5): 3220.732; (8)ACD/KOC (pH 7.4): 3220.732; (9)#H bond acceptors: 1; (10)Index of Refraction: 1.669; (11)Molar Refractivity: 51.775 cm3; (12)Molar Volume: 138.713 cm3; (13)Surface Tension: 48.509 dyne/cm; (14)Density: 1.989 g/cm3; (15)Melting Point: 77 °C; (16)Flash Point: 132.122 °C; (17)Enthalpy of Vaporization: 51.312 kJ/mol; (18)Boiling Point: 294.852 °C at 760 mmHg; (19)Vapour Pressure: 0.003 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. Harmful if swallowed. It is irritating to eyes, respiratory system and skin. You should not breathe its dust. In case of contact with eyes, you must 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=CC2=C(C=C1Br)C(=CO2)Br
(2)InChI: InChI=1S/C8H4Br2O/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4H
(3)InChIKey: FWNOZAIGDLGBGI-UHFFFAOYSA-N