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4-Bromo-2,6-difluoroanisole

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Name

4-Bromo-2,6-difluoroanisole

EINECS N/A
CAS No. 104197-14-0 Density 1.615 g/cm3
PSA 9.23000 LogP 2.73590
Solubility Insoluble in water. Melting Point N/A
Formula C7H5BrF2O Boiling Point 214.2 °C at 760 mmHg
Molecular Weight 223.017 Flash Point 98.5 °C
Transport Information N/A Appearance clear, colorless liquid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 104197-14-0 (4-Bromo-2,6-difluoroanisole) Hazard Symbols IrritantXi, FlammableF
Synonyms

Benzene, 5-bromo-1,3-difluoro-2-methoxy-;

Article Data 5

4-Bromo-2,6-difluoroanisole Specification

The 4-Bromo-2,6-difluoroanisole is an organic compound with the formula C7H5BrF2O. The IUPAC name of this chemical is 5-bromo-1,3-difluoro-2-methoxybenzene. With the CAS registry number 104197-14-0, it is also named as 4-Bromo-2,6-difluorophenyl methyl ether. In addition, this chemical is light sensitive and should be stored cold.

The other characteristics of 4-Bromo-2,6-difluoroanisole can be summarized as: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.19; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 155.53; (6)ACD/BCF (pH 7.4): 155.53; (7)ACD/KOC (pH 5.5): 1289.79; (8)ACD/KOC (pH 7.4): 1289.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 40.6 cm3; (14)Molar Volume: 138 cm3; (15)Polarizability: 16.09×10-24 cm3; (16)Surface Tension: 32.1 dyne/cm; (17)Enthalpy of Vaporization: 43.21 kJ/mol; (18)Vapour Pressure: 0.231 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 221.949184; (21)MonoIsotopic Mass: 221.949184; (22)Topological Polar Surface Area: 9.2; (23)Heavy Atom Count: 11; (24)Complexity: 122.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:Fc1c(OC)c(F)cc(Br)c1
2. InChI:InChI=1/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
3. InChIKey:CDOQKISJPOWBKC-UHFFFAOYAL

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