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CAS No.: | 399-55-3 |
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Name: | 2-FLUORO-4-METHYLANISOLE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C8H9FO |
Molecular Weight: | 140.157 |
Synonyms: | Anisole,2-fluoro-4-methyl- (7CI);2-Fluoro-1-methoxy-4-methylbenzene;2-Fluoro-4-methylanisole; |
Density: | 1.046 g/cm3 |
Boiling Point: | 181 °C at 760 mmHg |
Flash Point: | 63 °C |
Hazard Symbols: | C |
Risk Codes: | R34 |
PSA: | 9.23000 |
LogP: | 2.14270 |
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The Benzene, 2-fluoro-1-methoxy-4-methyl-, with the CAS registry number 399-55-3, is also known as 2-Fluoro-4-methylanisole. This chemical's molecular formula is C8H9FO and molecular weight is 140.15. What's more, its IUPAC name is 2-Fluoro-1-methoxy-4-methylbenzene.
Physical properties about Benzene, 2-fluoro-1-methoxy-4-methyl- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.28; (6)ACD/BCF (pH 7.4): 55.28; (7)ACD/KOC (pH 5.5): 615.07; (8)ACD/KOC (pH 7.4): 615.07; (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: 1.475; (14)Molar Refractivity: 37.75 cm3; (15)Molar Volume: 133.9 cm3; (16)Polarizability: 14.96×10-24 cm3; (17)Surface Tension: 28.2 dyne/cm; (18)Density: 1.046 g/cm3; (19)Flash Point: 63 °C; (20)Enthalpy of Vaporization: 40.02 kJ/mol; (21)Boiling Point: 181 °C at 760 mmHg; (22)Vapour Pressure: 1.18 mmHg at 25 °C.
Preparation of Benzene, 2-fluoro-1-methoxy-4-methyl-: this chemical is prepared by 2-Methyl-4-fluoro-5-methoxyaniline by heating. The reaction needs reagent Isoamylnitrite and solvent Tetrahydrofuran. The reaction time is 5 hours. The yield is about 60 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(ccc1OC)C
(2) InChI: InChI=1/C8H9FO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
(3) InChIKey: FOVXANGOLMXKES-UHFFFAOYAR