Coumarin 307

The Coumarin 307 with the CAS number 55804-70-1 is also called 2H-1-Benzopyran-2-one,7-(ethylamino)-6-methyl-4-(trifluoromethyl)-. The IUPAC name is 7-(ethylamino)-6-methyl-4-(trifluoromethyl)chromen-2-one. Its EINECS registry number is 259-828-8. The molecular formula is C₁₃H₁₂F₃NO₂. This chemical should be stored in dry and cool environment.

The properties of the Coumarin 307 are: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 351.19; (6)ACD/BCF (pH 7.4): 351.29; (7)ACD/KOC (pH 5.5): 2310.31; (8)ACD/KOC (pH 7.4): 2310.95; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 63.61 cm³; (15)Molar Volume: 200.3 cm³; (16)Polarizability: 25.22×10^-24cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Enthalpy of Vaporization: 58.19 kJ/mol; (19)Vapour Pressure: 9.77×10^-5 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should 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(c(c2)C)NCC
(2)InChI: InChI=1/C13H12F3NO2/c1-3-17-10-6-11-8(4-7(10)2)9(13(14,15)16)5-12(18)19-11/h4-6,17H,3H2,1-2H3
(3)InChIKey: NRZJOTSUPLCYDJ-UHFFFAOYAM