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| CAS No.: | 699016-24-5 |
|---|---|
| Name: | Benzaldehyde, 3-fluoro-5-methoxy- (9CI) |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H7FO2 |
| Molecular Weight: | 154.1383832 |
| Synonyms: | Benzaldehyde, 3-fluoro-5-methoxy- (9CI);3-Fluoro-5-methoxybenzaldehyde 97%;3-Fluoro-5-methoxybenzaldehyde97%;5-Fluoro-3-methoxybenzaldehyde;Benzaldehyde, 3-fluoro-5-Methoxy-;5-Fluoro-m-anisaldehyde, 3-Fluoro-5-formylanisole |
| Density: | 1.192 g/cm3 |
| Melting Point: | 24-29℃ |
| Boiling Point: | 216.065 °C at 760 mmHg |
| Flash Point: | 82.299 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 26.30000 |
| LogP: | 1.64680 |
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- Total:35 Page 1 of 1 1
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Specification
The CAS registry number of Benzaldehyde,3-fluoro-5-methoxy-(9CI) is 699016-24-5. It belongs to the product categories of Halide; Aldehyde. This chemical's molecular formula is C8H7FO2 and molecular weight is 154.1383832. What's more, its systematic name is called 3-Fluoro-5-methoxybenzaldehyde. In addition, this chemical is irritanting and may cause inflammation to the skin or other mucous membranes. This chemical should be stored under nitrogen.
Physical properties about Benzaldehyde,3-fluoro-5-methoxy-(9CI) are: (1)ACD/LogP: 1.60; (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): 18; (6)ACD/BCF (pH 7.4): 18; (7)ACD/KOC (pH 5.5): 273; (8)ACD/KOC (pH 7.4): 273; (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: 1.526; (14)Molar Refractivity: 39.678 cm3; (15)Molar Volume: 129.311 cm3; (16)Polarizability: 15.73×10-24 cm3; (17)Surface Tension: 35.719 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 82.299 °C; (20)Enthalpy of Vaporization: 45.242 kJ/mol; (21)Boiling Point: 216.065 °C at 760 mmHg; (22)Vapour Pressure: 0.143 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(cc(OC)c1)C=O
(2) InChI: InChI=1/C8H7FO2/c1-11-8-3-6(5-10)2-7(9)4-8/h2-5H,1H3
(3) InChIKey: IBKNUJGSSUDSSJ-UHFFFAOYAK