5,7-Dimethoxycoumarin supplier

Name
5,7-Dimethoxycoumarin
EINECS 207-646-4
CAS No. 487-06-9
Article Data34
CAS DataBase
Density 1.248 g/cm³
Solubility
Melting Point 146-149 °C(lit.)
Formula C₁₁H₁₀O₄
Boiling Point 388.1 °C at 760 mmHg
Molecular Weight 206.198
Flash Point 176.3 °C
Transport Information
Appearance YELLOW TO TAN OR BROWN POWDER OR CRYSTALLINE POWDER
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms Citropten(6CI);Coumarin, 5,7-dimethoxy- (7CI,8CI);5,7-Dimethoxy-2H-chromen-2-one;5,7-Dimethoxycoumarin;Citraptene;Citroptene;Limetin;Limettin;NSC 102793;NSC 217987;
PSA 48.67000
LogP 1.81020

5,7-Dimethoxycoumarin Specification

The 5,7-Dimethoxycoumarin with the cas number 487-06-9 is also called 2H-1-Benzopyran-2-one,5,7-dimethoxy-. The IUPAC name is 5,7-dimethoxychromen-2-one. Its EINECS registry number is 207-646-4. The molecular formula is C₁₁H₁₀O₄. This chemical belongs to the following product categories: (1)Coumarins; (2)API intermediates. It should be stored at 2-8°C.

The properties of the chemical are: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.57; (6)ACD/BCF (pH 7.4): 21.57; (7)ACD/KOC (pH 5.5): 313.56; (8)ACD/KOC (pH 7.4): 313.56; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 53.12 cm³; (15)Molar Volume: 165.1 cm³; (16)Polarizability: 21.05×10^-24cm³; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 63.73 kJ/mol; (19)Vapour Pressure: 3.13×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1cc(OC)cc(OC)c1\C=C\2
(2)InChI: InChI=1/C11H10O4/c1-13-7-5-9(14-2)8-3-4-11(12)15-10(8)6-7/h3-6H,1-2H3
(3)InChIKey: NXJCRELRQHZBQA-UHFFFAOYAC

Product Name

5,7-Dimethoxycoumarin

5,7-Dimethoxycoumarin Specification

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