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Name |
7-Bromobenzo[b]furan |
EINECS | N/A |
CAS No. | 133720-60-2 | Density | 1.608g/cm3 |
PSA | 13.14000 | LogP | 3.19530 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5BrO | Boiling Point | 233.8 °C at 760 mmHg |
Molecular Weight | 197.031 | Flash Point | 95.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-26-36/37/39 | Risk Codes |
Xi:; |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
7-Bromobenzo[b]furan;7-BROMOBENZOFURAN;7-Bromo-1-benzofuran |
Article Data | 2 |
The 7-Bromobenzo[b]furan, with CAS registry number 133720-60-2, has the systematic name of 7-bromo-1-benzofuran. Besides this, it is also called benzofuran, 7-bromo-. This chemical should be stored in the refrigeartor. And the chemical formula of this chemical is C8H5BrO.
Physical properties of 7-Bromobenzo[b]furan: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 243.05; (6)ACD/BCF (pH 7.4): 243.05; (7)ACD/KOC (pH 5.5): 1775.39; (8)ACD/KOC (pH 7.4): 1775.39; (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: 1.638; (14)Molar Refractivity: 44.08 cm3; (15)Molar Volume: 122.5 cm3; (16)Polarizability: 17.47×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.608 g/cm3; (19)Flash Point: 95.2 °C; (20)Enthalpy of Vaporization: 45.14 kJ/mol; (21)Boiling Point: 233.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0835 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cccc1c2occ1
(2)InChI: InChI=1/C8H5BrO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
(3)InChIKey: GPZPQJITKRSVQJ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H5BrO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
(5)Std. InChIKey: GPZPQJITKRSVQJ-UHFFFAOYSA-N