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CAS No.: | 845829-94-9 |
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Name: | 2-Bromo-6-fluoroanisole |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H6BrFO |
Molecular Weight: | 205.026 |
Synonyms: | 1-Bromo-3-fluoro-2-methoxybenzene;2-Bromo-6-fluorophenyl methyl ether;3-Bromo-1-fluoro-2-methoxybenzene; |
EINECS: | 679-553-0 |
Density: | 1.532 g/cm3 |
Boiling Point: | 208.587 °C at 760 mmHg |
Flash Point: | 94.379 °C |
Hazard Symbols: | Xi |
PSA: | 9.23000 |
LogP: | 2.59680 |
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The Benzene,1-bromo-3-fluoro-2-methoxy-, with the CAS registry number 845829-94-9, is also known as 2-Bromo-6-fluorophenyl methyl ether. It belongs to the product categories of Benzene series; Benzenes. This chemical's molecular formula is C7H6BrFO and molecular weight is 205.02. What's more, its systematic name is 1-Bromo-3-fluoro-2-methoxybenzene.
Physical properties of Benzene,1-bromo-3-fluoro-2-methoxy- are: (1)ACD/LogP: 2.697; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.70; (4)ACD/LogD (pH 7.4): 2.70; (5)ACD/BCF (pH 5.5): 66.05; (6)ACD/BCF (pH 7.4): 66.05; (7)ACD/KOC (pH 5.5): 698.69; (8)ACD/KOC (pH 7.4): 698.69; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 40.615 cm3; (15)Molar Volume: 133.83 cm3; (16)Polarizability: 16.101×10-24cm3; (17)Surface Tension: 33.33 dyne/cm; (18)Density: 1.532 g/cm3; (19)Flash Point: 94.379 °C; (20)Enthalpy of Vaporization: 42.67 kJ/mol; (21)Boiling Point: 208.587 °C at 760 mmHg; (22)Vapour Pressure: 0.31 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1c(F)cccc1Br
(2)Std. InChI: InChI=1S/C7H6BrFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
(3)Std. InChIKey: RLSQPLJXDTXSCL-UHFFFAOYSA-N