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851368-08-6

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Basic Information
CAS No.: 851368-08-6
Name: 2-Bromo-1-fluoro-3-iodobenzene
Article Data: 4
Molecular Structure:
Molecular Structure of 851368-08-6 (2-Bromo-1-fluoro-3-iodobenzene)
Formula: C6H3BrFI
Molecular Weight: 300.897
Synonyms: 2-BROMO-1-FLUORO-3-IODOBENZENE;2-Bromo-3-fluoroiodobenzene
Density: 2.281 g/cm3
Melting Point: 35-36 °C(Solv: ethanol (64-17-5))
Boiling Point: 243.2 °C at 760 mmHg
Flash Point: 100.9 °C
PSA: 0.00000
LogP: 3.19280
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Specification

The 2-Bromo-1-fluoro-3-iodobenzene, with the CAS registry number 851368-08-6, is also known as 2-Bromo-3-fluoroiodobenzene. This chemical's molecular formula is C6H3BrFI and molecular weight is 300.89. Its systematic name is called benzene, 2-bromo-1-fluoro-3-iodo-.

Physical properties of 2-Bromo-1-fluoro-3-iodobenzene: (1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 3.91; (3)ACD/LogD (pH 7.4): 3.91; (4)ACD/BCF (pH 5.5): 547.17; (5)ACD/BCF (pH 7.4): 547.17; (6)ACD/KOC (pH 5.5): 3173.61; (7)ACD/KOC (pH 7.4): 3173.61; (8)Index of Refraction: 1.628; (9)Molar Refractivity: 46.84 cm3; (10)Molar Volume: 131.9 cm3; (11)Surface Tension: 44.4 dyne/cm; (12)Density: 2.281 g/cm3; (13)Flash Point: 100.9 °C; (14)Enthalpy of Vaporization: 46.07 kJ/mol; (15)Boiling Point: 243.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0507 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)I)Br)F
(2)InChI: InChI=1/C6H3BrFI/c7-6-4(8)2-1-3-5(6)9/h1-3H
(3)InChIKey: MHMRKNHYHPORRR-UHFFFAOYAA