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| CAS No.: | 189628-39-5 |
|---|---|
| Name: | Benzaldehyde, 3-fluoro-5-methyl- (9CI) |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H7FO |
| Molecular Weight: | 138.141 |
| Synonyms: | Benzaldehyde, 3-fluoro-5-methyl- (9CI);Benzaldehyde, 3-fluoro-5-Methyl-;5-Fluoro-m-tolualdehyde, 3-Fluoro-5-formyltoluene |
| Density: | 1.136 g/cm3 |
| Boiling Point: | 197.6 °C at 760 mmHg |
| Flash Point: | 79.3 °C |
| PSA: | 17.07000 |
| LogP: | 1.94660 |
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Specification
The Benzaldehyde,3-fluoro-5-methyl-, with the CAS registry number 189628-39-5, is also known as 5-Fluoro-3-methylbenzaldehyde. It belongs to the product categories of Aldehyde; Halide. This chemical's molecular formula is C8H7FO and molecular weight is 138.139. Its systematic name is called 3-fluoro-5-methylbenzaldehyde.
Physical properties of Benzaldehyde,3-fluoro-5-methyl-: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 2.35; (3)ACD/LogD (pH 7.4): 2.35; (4)ACD/BCF (pH 5.5): 36.09; (5)ACD/BCF (pH 7.4): 36.09; (6)ACD/KOC (pH 5.5): 453.27; (7)ACD/KOC (pH 7.4): 453.27; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 37.82 cm3; (12)Molar Volume: 121.5 cm3; (13)Surface Tension: 35.6 dyne/cm; (14)Density: 1.136 g/cm3; (15)Flash Point: 79.3 °C; (16)Enthalpy of Vaporization: 43.38 kJ/mol; (17)Boiling Point: 197.6 °C at 760 mmHg; (18)Vapour Pressure: 0.376 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C=O)cc(c1)C
(2)InChI: InChI=1/C8H7FO/c1-6-2-7(5-10)4-8(9)3-6/h2-5H,1H3
(3)InChIKey: XXPITUUQKCGWNR-UHFFFAOYAB