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Benzofuran,7-bromo-5-fluoro-

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Name

Benzofuran,7-bromo-5-fluoro-

EINECS N/A
CAS No. 253429-19-5 Density 1.697 g/cm3
PSA 13.14000 LogP 3.33440
Solubility N/A Melting Point N/A
Formula C8H4BrFO Boiling Point 233.37 °C at 760 mmHg
Molecular Weight 215.022 Flash Point 94.939 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 253429-19-5 (7-Bromo-5-fluorobenzo[b]furan) Hazard Symbols IrritantXi
Synonyms

7-Bromo-5-fluorobenzofuran;5-Fluoro-7-bromobenzofuran;7-bromo-5-fluoro-1-benzofuran;

Article Data 10

Benzofuran,7-bromo-5-fluoro- Specification

The Benzofuran,7-bromo-5-fluoro-, with the CAS registry number 253429-19-5, has the systematic name of 7-bromo-5-fluoro-1-benzofuran. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C8H4BrFO.

The physical properties of Benzofuran,7-bromo-5-fluoro- are as following: (1)ACD/LogP: 3.20; (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): 262; (6)ACD/BCF (pH 7.4): 262; (7)ACD/KOC (pH 5.5): 1871; (8)ACD/KOC (pH 7.4): 1871; (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: 1.612; (14)Molar Refractivity: 44.079 cm3; (15)Molar Volume: 126.738 cm3; (16)Polarizability: 17.474×10-24cm3; (17)Surface Tension: 42.034 dyne/cm; (18)Density: 1.697 g/cm3; (19)Flash Point: 94.939 °C; (20)Enthalpy of Vaporization: 45.1 kJ/mol; (21)Boiling Point: 233.37 °C at 760 mmHg; (22)Vapour Pressure: 0.085 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2ccoc2c(Br)c1
(2)InChI: InChI=1/C8H4BrFO/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4H
(3)InChIKey: TYBMMMOEVBNTDU-UHFFFAOYAU

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