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| CAS No.: | 334-42-9 |
|---|---|
| Name: | 1-bromo-7-fluoroheptane |
| Molecular Structure: | |
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| Formula: | C7H14BrF |
| Molecular Weight: | 197.0884632 |
| Synonyms: | 1-Fluoro-7-bromoheptane;7-Bromo-1-fluoroheptane;7-Fluoroheptyl bromide;Heptane, 1-bromo-7-fluoro-; |
| Density: | 1.211 g/cm3 |
| Boiling Point: | 202.6 °C at 760 mmHg |
| Flash Point: | 78.9 °C |
| PSA: | 0.00000 |
| LogP: | 3.30130 |
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Specification
This chemical is called 1-bromo-7-fluoroheptane, and it can also be named as 1-Fluoro-7-bromoheptane. With the molecular formula of C7H14BrF, its molecular weight is 197.0884632. The CAS registry number of this chemical is 334-42-9.
Other characteristics of the 1-bromo-7-fluoroheptane can be summarised as followings: (1)ACD/LogP: 3.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.56; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 298.61; (6)ACD/BCF (pH 7.4): 298.61; (7)ACD/KOC (pH 5.5): 2057.23; (8)ACD/KOC (pH 7.4): 2057.23; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 42.37 cm3; (15)Molar Volume: 162.7 cm3; (16)Polarizability: 16.79×10-24 cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 78.9 °C; (20)Enthalpy of Vaporization: 42.09 kJ/mol; (21)Boiling Point: 202.6 °C at 760 mmHg; (22)Vapour Pressure: 0.414 mmHg at 25°C.
Production method of this chemical: The 1-bromo-7-fluoroheptane could be obtained by the reactant of 7-bromo-heptan-1-ol. This reaction needs the reagent of DAST, and the solvent of CCl4. The yield is 53 %. In addition, this reaction should be taken for 23 hours at the temperature of 0-20 °C.
You can still convert the following datas into molecular structure:
1.SMILES: BrCCCCCCCF
2.InChI: InChI=1/C7H14BrF/c8-6-4-2-1-3-5-7-9/h1-7H2
3.InChIKey: DMJNARQTYULDEB-UHFFFAOYAT