The Benzene,1-bromo-4-(difluoromethoxy)-, with CAS registry number 5905-69-1, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Building Blocks; (4)FluoroCompounds; (5)Anisoles, Alkyloxy Compounds & Phenylacetates; (6)Bromine Compounds; (7)Fluorine Compounds; (8)Ethers; (9)Organic Building Blocks; (10)Oxygen Compounds. It has the systematic name of 1-bromo-4-(difluoromethoxy)benzene.
Physical properties of Benzene,1-bromo-4-(difluoromethoxy)-: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.363; (4)ACD/LogD (pH 7.4): 3.363; (5)ACD/BCF (pH 5.5): 211.783; (6)ACD/BCF (pH 7.4): 211.783; (7)ACD/KOC (pH 5.5): 1608.717; (8)ACD/KOC (pH 7.4): 1608.717; (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: 1.492; (14)Molar Refractivity: 40.908 cm3; (15)Molar Volume: 140.893 cm3; (16)Polarizability: 16.217×10-24cm3; (17)Surface Tension: 30.403 dyne/cm; (18)Enthalpy of Vaporization: 42.361 kJ/mol; (19)Vapour Pressure: 0.359 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-bromo-phenol and chloro-difluoro-methane. 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 79%.
When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-4-(difluoromethoxy)- is flammable, so keep it away from sources of ignition. This chemical irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1OC(F)F)Br
(2)InChI: InChI=1/C7H5BrF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
(3)InChIKey: ORIYZUFTROJBQJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H5BrF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
(5)Std. InChIKey: ORIYZUFTROJBQJ-UHFFFAOYSA-N
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