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575-04-2

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Basic Information
CAS No.: 575-04-2
Name: 7-Methoxy-4-(trifluoromethyl)coumarin
Article Data: 2
Molecular Structure:
Molecular Structure of 575-04-2 (7-Methoxy-4-(trifluoromethyl)coumarin)
Formula: C11H7F3O3
Molecular Weight: 244.17
Synonyms: 4-TRIFLUOROMETHYL-UMBELLIFERYL 7-METHYL ETHER;7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN;METHYL 4-(TRIFLUOROMETHYL)UMBELLIFERYL ETHER;BUTTPARK 84\02-27;7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN, F OR FLUORESCENCE;7-Methoxy-4-(trifluoromethyl)coumarin,Methyl 4-(trifluoromethyl)umbelliferyl ether
Density: 1.418 g/cm3
Melting Point: 113-114 °C(Solv: ethanol (64-17-5); water (7732-18-5))
Boiling Point: 287.4 °C at 760 mmHg
Flash Point: 123.6 °C
Hazard Symbols:
Risk Codes: 36/37/38
Safety: 26-36
PSA: 39.44000
LogP: 2.82040
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Specification

The 7-Methoxy-4-(trifluoromethyl)coumarin with its CAS register number is 575-04-2. The systematic name about this chemical is 7-methoxy-4-(trifluoromethyl)-2H-chromen-2-one.

Physical properties about 7-Methoxy-4-(trifluoromethyl)coumarin are: (1)ACD/LogP: 2.88; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 35.53Å2; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 51.22 cm3; (7)Molar Volume: 172.1 cm3; (8)Polarizability: 20.3x10-24cm3; (9)Surface Tension: 36.8 dyne/cm; (10)Enthalpy of Vaporization: 52.66 kJ/mol; (11)Vapour Pressure: 0.00249 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C=1c2c(OC(=O)C=1)cc(OC)cc2
(2)InChI: InChI=1/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3
(3)InChIKey: HAZHUELNIGDYQH-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3
(5)Std. InChIKey: HAZHUELNIGDYQH-UHFFFAOYSA-N