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CAS No.: | 111141-02-7 |
---|---|
Name: | 7-(Trifluoromethyl)chroman-4-one |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C10H7F3O2 |
Molecular Weight: | 216.16 |
Synonyms: | 7-Trifluoromethylchroman-4-one;7-(Trifluoromethyl)-2,3-dihydro-4H-chromen-4-one; |
Density: | 1.374 g/cm3 |
Boiling Point: | 282.3 °C at 760 mmHg |
Flash Point: | 120.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 26.30000 |
LogP: | 2.67060 |
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The 4H-1-Benzopyran-4-one,2,3-dihydro-7-(trifluoromethyl)-, with the CAS registry number 111141-02-7, is also known as 7-Trifluoromethylchroman-4-one. This chemical's molecular formula is C10H7F3O2 and molecular weight is 216.16. What's more, its IUPAC name is 7-(trifluoromethyl)-2,3-dihydrochromen-4-one.
Physical properties of 4H-1-Benzopyran-4-one,2,3-dihydro-7-(trifluoromethyl)- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)#H bond acceptors: 2; (5)#H bond donors: 0; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: 26.3 Å2; (8)Index of Refraction: 1.485; (9)Molar Refractivity: 45.14 cm3; (10)Molar Volume: 157.3 cm3; (11)Surface Tension: 34 dyne/cm; (12)Density: 1.374 g/cm3; (13)Flash Point: 120.7 °C; (14)Enthalpy of Vaporization: 52.11 kJ/mol; (15)Boiling Point: 282.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00339 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC2=C(C1=O)C=CC(=C2)C(F)(F)F
(2)InChI: InChI=1S/C10H7F3O2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-2,5H,3-4H2
(3)InChIKey: BDGGJAUEQDZWRC-UHFFFAOYSA-N