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CAS No.: | 886762-64-7 |
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Name: | 2-Fluoro-3-methylbenzaldehyde |
Molecular Structure: | |
Formula: | C8H7FO |
Molecular Weight: | 138.141 |
Synonyms: | Benzaldehyde,2-fluoro-3-methyl;2-fluoro-3-methyl-benzaldehyde;3-Methyl-2-fluorobenzaldehyde; |
Density: | 1.136 g/cm3 |
Boiling Point: | 197.4 °C at 760 mmHg |
Flash Point: | 79.2 °C |
PSA: | 17.07000 |
LogP: | 1.94660 |
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This chemical is called Benzaldehyde, 2-fluoro-3-methyl-, and it can also be named as 2-Fluor-3-methylbenzolcarbaldehyd. With the molecular formula of C8H7FO, its molecular weight is 138.14. The CAS registry number of this chemical is 886762-64-7.
Other characteristics of the Benzaldehyde, 2-fluoro-3-methyl- can be summarised as followings: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.25; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 30.03; (6)ACD/BCF (pH 7.4): 30.03; (7)ACD/KOC (pH 5.5): 397.41; (8)ACD/KOC (pH 7.4): 397.41; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 37.82 cm3; (15)Molar Volume: 121.5 cm3; (16)Polarizability: 14.99×10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.136 g/cm3; (19)Flash Point: 79.2 °C; (20)Enthalpy of Vaporization: 43.36 kJ/mol; (21)Boiling Point: 197.4 °C at 760 mmHg; (22)Vapour Pressure: 0.379 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(C=O)cccc1C
2.InChI: InChI=1/C8H7FO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
3.InChIKey: CERGYJCALDGESV-UHFFFAOYAA