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CAS No.: | 128140-82-9 |
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Name: | 4-(Difluoromethoxy)iodobenzene |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H5F2IO |
Molecular Weight: | 270.017 |
Synonyms: | 1-(Difluoromethoxy)-4-iodobenzene;4-(Difluoromethoxy)-1-iodobenzene; |
Density: | 1.84g/cm3 |
Boiling Point: | 229.829 °C at 760 mmHg |
Flash Point: | 92.797 °C |
Hazard Symbols: | Xi |
Risk Codes: | 38 |
Safety: | 37 |
PSA: | 9.23000 |
LogP: | 2.89260 |
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The Benzene,1-(difluoromethoxy)-4-iodo-, with CAS registry number 128140-82-9, belongs to the following product categories: (1)Anisoles, Alkyloxy Compounds & Phenylacetates; (2)Fluorine Compounds; (3)Iodine Compounds. It has the systematic name of 1-(difluoromethoxy)-4-iodo-benzene. And the chemical formula of this chemical is C7H5F2IO.
Physical properties of Benzene,1-(difluoromethoxy)-4-iodo-: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.023; (4)ACD/LogD (pH 7.4): 4.023; (5)ACD/BCF (pH 5.5): 672.118; (6)ACD/BCF (pH 7.4): 672.118; (7)ACD/KOC (pH 5.5): 3676.947; (8)ACD/KOC (pH 7.4): 3676.947; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 46.124 cm3; (15)Molar Volume: 146.781 cm3; (16)Polarizability: 18.285×10-24cm3; (17)Surface Tension: 34.585 dyne/cm; (18)Density: 1.84 g/cm3; (19)Flash Point: 92.797 °C; (20)Enthalpy of Vaporization: 44.75 kJ/mol; (21)Boiling Point: 229.829 °C at 760 mmHg; (22)Vapour Pressure: 0.103 mmHg at 25°C.
Preparation: this chemical can be prepared by chloro-difluoro-methane and 4-iodo-phenol. This reaction will need reagent 20% aq. NaOH and solvent propan-2-ol. The reaction time is 6 hour(s) with reaction temperature of 65 - 75 ℃. The yield is about 85%.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(difluoromethoxy)-4-iodo- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1OC(F)F)I
(2)InChI: InChI=1/C7H5F2IO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H
(3)InChIKey: KBNPQVHJUYEJIZ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H5F2IO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H
(5)Std. InChIKey: KBNPQVHJUYEJIZ-UHFFFAOYSA-N