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CAS No.: | 117752-04-2 |
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Name: | 2-FLUORO-6-METHYLBENZALDEHYDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H7FO |
Molecular Weight: | 138.141 |
Synonyms: | 2-Fluoro-6-methylbenzaldehyde; |
Density: | 1.136 g/cm3 |
Boiling Point: | 200.5 °C at 760 mmHg |
Flash Point: | 82.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 26 |
PSA: | 17.07000 |
LogP: | 1.94660 |
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The Benzaldehyde, 2-fluoro-6-methyl-, with the CAS registry number of 117752-04-2, is also known as 6-Methyl-2-fluorobenzaldehyde. This chemical's molecular formula is C8H7FO and molecular weight is 138.139. What's more, its systematic name is called 2-Fluoro-6-methylbenzaldehyde. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzaldehyde, 2-fluoro-6-methyl- are: (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)Surface Tension: 35.6 dyne/cm; (17)Density: 1.136 g/cm3; (18)Flash Point: 82.5 °C; (19)Enthalpy of Vaporization: 43.67 kJ/mol; (20)Boiling Point: 200.5 °C at 760 mmHg; (21)Vapour Pressure: 0.324 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1c(C)cccc1F
(2) InChI: InChI=1/C8H7FO/c1-6-3-2-4-8(9)7(6)5-10/h2-5H,1H3
(3) InChIKey: BGQBJWPZBBMKEI-UHFFFAOYAY