Basic information
- Name:
4H-1-Benzopyran-4-one,6-fluoro-2,3-dihydro-2-methyl-
- CAS No.:
88754-96-5
- Molecular Structure:
- Formula:
- C10H9FO2
- Molecular Weight:
- 180.18
- Synonyms:
- 6-Fluoro-2-methyl-4-chromanone;
- Density:
- 1.217 g/cm3
- Melting Point:
- 71 °C
- Boiling Point:
- 121.7 °C
- Flash Point:
- 284 °C at 760 mmHg
- Hazard Symbols:
Xi
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Specification
The 4H-1-Benzopyran-4-one,6-fluoro-2,3-dihydro-2-methyl- is an organic compound with the formula C10H9FO2. The IUPAC name of this chemical is 6-fluoro-2-methyl-2,3-dihydrochromen-4-one. With the CAS registry number 88754-96-5, it is also named as 6-Fluoro-2-methyl-4-chromanone.
Physical properties about 4H-1-Benzopyran-4-one,6-fluoro-2,3-dihydro-2-methyl- are: (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): 2.66; (3)ACD/LogD (pH 7.4): 2.66; (4)ACD/BCF (pH 5.5): 61.86; (5)ACD/BCF (pH 7.4): 61.86; (6)ACD/KOC (pH 5.5): 666.68; (7)ACD/KOC (pH 7.4): 666.68; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.3 Å2; (10)Index of Refraction: 1.518; (11)Molar Refractivity: 44.86 cm3; (12)Molar Volume: 148 cm3; (13)Polarizability: 17.78×10-24cm3; (14)Surface Tension: 36.3 dyne/cm; (15)Density: 1.217 g/cm3; (16)Flash Point: 121.7 °C; (17)Enthalpy of Vaporization: 52.3 kJ/mol; (18)Boiling Point: 284 °C at 760 mmHg; (19)Vapour Pressure: 0.00306 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc1OC(CC(=O)c1c2)C
(2)InChI: InChI=1/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3
(3)InChIKey: RPAIBTVEPAACRP-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H9FO2/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-3,5-6H,4H2,1H3
(5)Std. InChIKey: RPAIBTVEPAACRP-UHFFFAOYSA-N
