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CAS No.: | 146137-79-3 |
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Name: | 5-CYANO-2-FLUOROBENZALDEHYDE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H4FNO |
Molecular Weight: | 149.124 |
Synonyms: | 2-Fluoro-5-cyanobenzaldehyde;4-Fluoro-3-formylbenzenecarbonitrile;4-Fluoro-3-formylbenzonitrile; |
Density: | 1.25 g/cm3 |
Boiling Point: | 216.47 °C at 760 mmHg |
Flash Point: | 84.719 °C |
PSA: | 40.86000 |
LogP: | 1.50988 |
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The 5-Cyano-2-fluorobenzaldehyde, with the CAS registry number 146137-79-3, is also known as Benzonitrile, 4-fluoro-3-formyl-. It belongs to the product categories of Halide; Aldehyde; Benzaldehyde; Miscellaneous; Benzenes. This chemical's molecular formula is C8H4FNO and molecular weight is 149.1219. Its systematic name is called 4-fluoro-3-formylbenzonitrile.
Physical properties of 5-Cyano-2-fluorobenzaldehyde: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 6; (5)ACD/BCF (pH 7.4): 6; (6)ACD/KOC (pH 5.5): 123; (7)ACD/KOC (pH 7.4): 123; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 36.402 cm3; (13)Molar Volume: 118.363 cm3; (14)Surface Tension: 45.584 dyne/cm; (15)Density: 1.26 g/cm3; (16)Flash Point: 84.719 °C; (17)Enthalpy of Vaporization: 45.283 kJ/mol; (18)Boiling Point: 216.47 °C at 760 mmHg; (19)Vapour Pressure: 0.14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc(C#N)ccc1F
(2)InChI: InChI=1/C8H4FNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H
(3)InChIKey: QVBHRCAJZGMNFX-UHFFFAOYAK