COUMARIN 7

The Coumarin 7, with the CAS registry number 27425-55-4, is also known as 3-(2-Benzimidazolyl)-7-(diethylamino)coumarin. It belongs to the product category of Solvent Dyestuff. Its EINECS number is 248-451-4. This chemical's molecular formula is C₂₀H₁₉N₃O₂ and molecular weight is 333.38. What's more, its systematic name is 3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and strong acids. It is used for the dyeing of textile goods and the coloring of paper. It also can be used for a variety of pre-colored resins and fiber spinning.

Physical properties of Coumarin 7 are: (1)ACD/LogP: 4.436; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 1042.08; (6)ACD/BCF (pH 7.4): 1378.70; (7)ACD/KOC (pH 5.5): 4642.26; (8)ACD/KOC (pH 7.4): 6141.81; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 58.22 Å²; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 98.153 cm³; (15)Molar Volume: 255.94 cm³; (16)Polarizability: 38.911×10^-24cm³; (17)Surface Tension: 63.5 dyne/cm; (18)Density: 1.303 g/cm³; (19)Flash Point: 318.044 °C; (20)Enthalpy of Vaporization: 89.607 kJ/mol; (21)Boiling Point: 602.273 °C at 760 mmHg; (22)Vapour Pressure: 0 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. It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(ccc1\C=C\2c3nc4ccccc4n3)N(CC)CC
(2)Std. InChI: InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
(3)Std. InChIKey: GOLORTLGFDVFDW-UHFFFAOYSA-N