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| CAS No.: | 890839-66-4 |
|---|---|
| Name: | 8-(Trifluoromethyl)chroman-4-one |
| Molecular Structure: | |
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| Formula: | C10H7F3O2 |
| Molecular Weight: | 216.1566 |
| Synonyms: | 4H-1-benzopyran-4-one, 2,3-dihydro-8-(trifluoromethyl)-; 8-(Trifluoromethyl)-2,3-dihydro-4H-chromen-4-one |
| Density: | 1.374 g/cm3 |
| Boiling Point: | 288 °C at 760 mmHg |
| Flash Point: | 124 °C |
| PSA: | 26.30000 |
| LogP: | 2.67060 |
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- Total:23 Page 1 of 1 1
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Specification
The 8-(Trifluoromethyl)chroman-4-one, with CAS registry number 890839-66-4, has the systematic name of 8-(trifluoromethyl)chroman-4-one. Besides this, it is also called 4H-1-benzopyran-4-one, 2,3-dihydro-8-(trifluoromethyl)-. And the chemical formula of this chemical is C10H7F3O2.
Physical properties of 8-(Trifluoromethyl)chroman-4-one: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 26.3 Å2; (9)Index of Refraction: 1.485; (10)Molar Refractivity: 45.14 cm3; (11)Molar Volume: 157.3 cm3; (12)Polarizability: 17.89×10-24cm3; (13)Surface Tension: 34 dyne/cm; (14)Density: 1.374 g/cm3; (15)Flash Point: 124 °C; (16)Enthalpy of Vaporization: 52.72 kJ/mol; (17)Boiling Point: 288 °C at 760 mmHg; (18)Vapour Pressure: 0.0024 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(c(c1)C(F)(F)F)OCCC2=O
(2)InChI: InChI=1/C10H7F3O2/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3H,4-5H2
(3)InChIKey: OQGMJRUOBDTBBF-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H7F3O2/c11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7/h1-3H,4-5H2
(5)Std. InChIKey: OQGMJRUOBDTBBF-UHFFFAOYSA-N