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| CAS No.: | 217314-46-0 |
|---|---|
| Name: | Benzenamine, 2-fluoro-6-methoxy-4-methyl- (9CI) |
| Molecular Structure: | |
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| Formula: | C8H10FNO |
| Molecular Weight: | 155.17 |
| Synonyms: | 2-Fluoro-6-methoxy-4-methylaniline;Benzenamine, 2-fluoro-6-methoxy-4-methyl- (9CI);2-Fuloro-4-methy-6-methoxyaniline; |
| Density: | 1.139 g/cm3 |
| Boiling Point: | 214.661 °C at 760 mmHg |
| Flash Point: | 83.624 °C |
| PSA: | 35.25000 |
| LogP: | 2.30610 |
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Specification
The Benzenamine,2-fluoro-6-methoxy-4-methyl-, with the CAS registry number 217314-46-0, is also known as 2-Fuloro-4-methy-6-methoxyaniline. It belongs to the product categories of Halide; Methoxy. This chemical's molecular formula is C8H10FNO and molecular weight is 155.17. What's more, its systematic name is 2-fluoro-6-methoxy-4-methylaniline.
Physical properties of Benzenamine,2-fluoro-6-methoxy-4-methyl- are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 267; (8)ACD/KOC (pH 7.4): 270; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.25 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 41.986 cm3; (15)Molar Volume: 136.201 cm3; (16)Polarizability: 16.645×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 83.624 °C; (20)Enthalpy of Vaporization: 45.099 kJ/mol; (21)Boiling Point: 214.661 °C at 760 mmHg; (22)Vapour Pressure: 0.154 mmHg at 25°C.
Preparation of Benzenamine,2-fluoro-6-methoxy-4-methyl-: this chemical can be prepared by 1-(2-fluoro-6-methoxy-4-methylphenyl)-2,5-dimethyl-1H-pyrrole at the temperature of 80 °C. This reaction will need reagents NH2OH·HCl, Et3N and solvent ethanol with the reaction time of 16 hours. The yield is about 91%.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(OC)c1N)C
(2)InChI: InChI=1S/C8H10FNO/c1-5-3-6(9)8(10)7(4-5)11-2/h3-4H,10H2,1-2H3
(3)InChIKey: ILRQRBUHROWLKN-UHFFFAOYSA-N