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| CAS No.: | 222978-01-0 |
|---|---|
| Name: | (4-Bromo-3-fluorophenyl)methanol |
| Molecular Structure: | |
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| Formula: | C7H6BrFO |
| Molecular Weight: | 205.026 |
| Synonyms: | (4-Bromo-3-fluorophenyl)methan-1-ol; |
| Density: | 1.658 g/cm3 |
| Melting Point: | 44.0 to 48.0 °C |
| Boiling Point: | 259.8 °C at 760 mmHg |
| Flash Point: | 110.9 °C |
| PSA: | 20.23000 |
| LogP: | 2.08050 |
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Specification
The (4-Bromo-3-fluorophenyl)methanol, with the CAS registry number of 222978-01-0, is also known as (4-Bromo-3-fluorophenyl)methan-1-ol. This chemical's molecular formula is C7H6BrFO and molecular weight is 205.02. What's more, its systematic name is (4-bromo-3-fluorophenyl)methanol.
Physical properties about the (4-Bromo-3-fluorophenyl)methanol are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.06; (6)ACD/BCF (pH 7.4): 13.06; (7)ACD/KOC (pH 5.5): 218.99; (8)ACD/KOC (pH 7.4): 218.99; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 40.38 cm3; (15)Molar Volume: 123.6 cm3; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.658 g/cm3; (18)Flash Point: 110.9 °C; (19)Enthalpy of Vaporization: 52.56 kJ/mol; (20)Boiling Point: 259.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00645 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(CO)ccc1Br
(2) InChI: InChI=1/C7H6BrFO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
(3) InChIKey: VQDUFYPJCUBGQW-UHFFFAOYAB