4,7-DIMETHYLCOUMARIN

The 2H-1-Benzopyran-2-one,4,7-dimethyl-, with CAS registry number 14002-90-5, has the systematic name of 4,7-dimethyl-2H-chromen-2-one. Besides this, it is also called 4,7-Dimethylcoumarin. Its molecular weight is 174.2. And the chemical formula of this chemical is C₁₁H₁₀O₂.

Physical properties of 2H-1-Benzopyran-2-one,4,7-dimethyl-: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 26.3 Å ²; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 49.29 cm³; (9)Molar Volume: 151.3 cm³; (10)Polarizability: 19.54×10^-24cm³; (11)Surface Tension: 39.8 dyne/cm; (12)Density: 1.15 g/cm³; (13)Flash Point: 129 °C; (14)Enthalpy of Vaporization: 55.55 kJ/mol; (15)Boiling Point: 314.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00047 mmHg at 25°C.

Preparation: this chemical can be prepared by acetoacetic acid ethyl ester and 3-methyl-phenol. This reaction will need reagent concentrated sulfuric acid.

Uses of 2H-1-Benzopyran-2-one,4,7-dimethyl-: it can be used to produce 3-bromo-4,7-dimethyl-coumarin. This reaction will need reagents chloroform, bromine.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. This chemical is harmful if swallowed. And it is also toxic by inhalation. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) Before using it, please avoid exposure - obtain special instructions.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(ccc1\C(=C\2)C)C
(2)InChI: InChI=1/C11H10O2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-6H,1-2H3
(3)InChIKey: MUMAHEBVYSIROC-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H10O2/c1-7-3-4-9-8(2)6-11(12)13-10(9)5-7/h3-6H,1-2H3
(5)Std. InChIKey: MUMAHEBVYSIROC-UHFFFAOYSA-N