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| CAS No.: | 128851-73-0 |
|---|---|
| Name: | 6-Bromobenzofuran |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C8H5BrO |
| Molecular Weight: | 197.031 |
| Synonyms: | BENZOFURAN, 6-BROMO-;6-Bromo-1-benzofuran;6-Bromobenzo[b]furan |
| Density: | 1.608 g/cm3 |
| Boiling Point: | 233.807 °C at 760 mmHg |
| Flash Point: | 95.203 °C |
| PSA: | 13.14000 |
| LogP: | 3.19530 |
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Specification
The 6-Bromo-1-benzofuran, with CAS registry number 128851-73-0, has the systematic name of 6-bromo-1-benzofuran. Besides this, it is also called Benzofuran, 6-bromo-. Its molecular weight is 197.0287. And the chemical formula of this chemical is C8H5BrO.
Physical properties of 6-Bromo-1-benzofuran: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 243; (6)ACD/BCF (pH 7.4): 243; (7)ACD/KOC (pH 5.5): 1775; (8)ACD/KOC (pH 7.4): 1775; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 13.14 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 44.085 cm3; (15)Molar Volume: 122.529 cm3; (16)Polarizability: 17.477×10-24cm3; (17)Surface Tension: 44.005 dyne/cm; (18)Density: 1.608 g/cm3; (19)Flash Point: 95.203 °C; (20)Enthalpy of Vaporization: 45.143 kJ/mol; (21)Boiling Point: 233.807 °C at 760 mmHg; (22)Vapour Pressure: 0.084 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2ccoc2c1
(2)InChI: InChI=1/C8H5BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
(3)InChIKey: BBXQYOQXGGJUFK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H5BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
(5)Std. InChIKey: BBXQYOQXGGJUFK-UHFFFAOYSA-N