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CAS No.: | 64287-19-0 |
---|---|
Name: | 4-FLUORO-3-METHOXYACETOPHENONE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H9FO2 |
Molecular Weight: | 168.168 |
Synonyms: | 1-(4-fluoro-3-methoxyphenyl)ethanone |
Density: | 1.127g/cm3 |
Melting Point: | 52 °C |
Boiling Point: | 246 °C at 760 mmHg |
Flash Point: | 99.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 26.30000 |
LogP: | 2.03690 |
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The 4-Fluoro-3-methoxyacetophenone, with CAS registry number 64287-19-0, belongs to the following product categories: (1)Aromatic Acetophenones & Derivatives (substituted); (2)Adehydes, Acetals & Ketones; (3)Anisoles, Alkyloxy Compounds & Phenylacetates; (4)Fluorine Compounds. It has the systematic name of 1-(4-fluoro-3-methoxyphenyl)ethanone. And the chemical formula of this chemical is C9H9FO2.
Physical properties of 4-Fluoro-3-methoxyacetophenone: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 14.88; (6)ACD/BCF (pH 7.4): 14.88; (7)ACD/KOC (pH 5.5): 240.37; (8)ACD/KOC (pH 7.4): 240.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 42.95 cm3; (15)Molar Volume: 149.1 cm3; (16)Polarizability: 17.02×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Enthalpy of Vaporization: 48.31 kJ/mol; (19)Vapour Pressure: 0.0279 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 4-Fluoro-3-methoxyacetophenone irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1OC)C(=O)C
(2)InChI: InChI=1/C9H9FO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,1-2H3
(3)InChIKey: PFEGFUCYOHBDJF-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H9FO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,1-2H3
(5)Std. InChIKey: PFEGFUCYOHBDJF-UHFFFAOYSA-N