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1-Bromo-2,4-difluoro-5-iodo-Benzene

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Name

1-Bromo-2,4-difluoro-5-iodo-Benzene

EINECS N/A
CAS No. 914636-91-2 Density 2.342 g/cm3
PSA 0.00000 LogP 3.33190
Solubility N/A Melting Point N/A
Formula C6H2BrF2I Boiling Point 233.5 °C at 760 mmHg
Molecular Weight 318.887 Flash Point 95 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 914636-91-2 (Benzene, 1-bromo-2,4-difluoro-5-iodo-) Hazard Symbols N/A
Synonyms

1-Bromo-2,4-difluoro-5-iodobenzene

 

1-Bromo-2,4-difluoro-5-iodo-Benzene Specification

The 1-Bromo-2,4-difluoro-5-iodo-Benzene, with CAS registry number 914636-91-2, has the systematic name of 1-bromo-2,4-difluoro-5-iodo-benzene. And its IUPAC name is the same one. The chemical formula of this chemical is C6H2BrF2I.

Physical properties of 1-bromo-2,4-difluoro-5-iodo-Benzene: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.604; (9)Molar Refractivity: 46.83 cm3; (10)Molar Volume: 136.1 cm3; (11)Polarizability: 18.56×10-24cm3; (12)Surface Tension: 42.5 dyne/cm; (13)Enthalpy of Vaporization: 45.12 kJ/mol; (14)Vapour Pressure: 0.0848 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cc(c1F)I)Br)F
(2)InChI: InChI=1/C6H2BrF2I/c7-3-1-6(10)5(9)2-4(3)8/h1-2H
(3)InChIKey: OKFGWPYCEDYPAF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H2BrF2I/c7-3-1-6(10)5(9)2-4(3)8/h1-2H
(5)Std. InChIKey: OKFGWPYCEDYPAF-UHFFFAOYSA-N

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