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CAS No.: | 72373-82-1 |
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Name: | 3-CHLORO-2-FLUOROIODOBENZENE |
Molecular Structure: | |
Formula: | C6H3ClFI |
Molecular Weight: | 256.446 |
Synonyms: | 3-Chloro-2-fluoroiodobenzene;2-Chloro-6-iodofluorobenzene;1-Chloro-2-fluoro-3-iodobenzene; |
Density: | 2.008 g/cm3 |
Boiling Point: | 229.9 °C at 760 mmHg |
Flash Point: | 92.8 °C |
Hazard Symbols: | Xi |
PSA: | 0.00000 |
LogP: | 3.08370 |
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The Benzene, 1-chloro-2-fluoro-3-iodo-, with the CAS registry number 72373-82-1, is also known as 3-Chloro-2-fluoroiodobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Aryl; C6; Halogenated Hydrocarbons. This chemical's molecular formula is C6H3ClFI and molecular weight is 256.44. What's more, its IUPAC name is 1-Chloro-2-fluoro-3-iodobenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzene, 1-chloro-2-fluoro-3-iodo- are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 252.58; (6)ACD/BCF (pH 7.4): 252.58; (7)ACD/KOC (pH 5.5): 1824.92; (8)ACD/KOC (pH 7.4): 1824.92; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 44.04 cm3; (15)Molar Volume: 127.6 cm3; (16)Polarizability: 17.46×10-24 cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 2.008 g/cm3; (19)Flash Point: 92.8 °C; (20)Enthalpy of Vaporization: 44.75 kJ/mol; (21)Boiling Point: 229.9 °C at 760 mmHg; (22)Vapour Pressure: 0.103 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cccc(Cl)c1F
(2) InChI: InChI=1/C6H3ClFI/c7-4-2-1-3-5(9)6(4)8/h1-3H
(3) InChIKey: MHRRZKUNYYQXTA-UHFFFAOYAO