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525-21-3

Basic Information
CAS No.: 525-21-3
Name: FRAXIDIN
Article Data: 5
Molecular Structure:
Molecular Structure of 525-21-3 (FRAXIDIN)
Formula: C11H10O5
Molecular Weight: 222.197
Synonyms: Fraxidin (6CI);Coumarin,8-hydroxy-6,7-dimethoxy- (7CI,8CI);Fraxidin;8-Hydroxy-6,7-dimethoxycoumarin;
EINECS: 208-370-7
Density: 1.358 g/cm3
Melting Point: 196-197 °C
Boiling Point: 424.2 °C at 760 mmHg
Flash Point: 171 °C
PSA: 68.90000
LogP: 1.51580
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  • 8-hydroxy-6,7-dimethoxy-2-benzopyrone  CAS NO.525-21-3

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Specification

The CAS register number of 2H-1-Benzopyran-2-one,8-hydroxy-6,7-dimethoxy- is 525-21-3. It also can be called as Fraxidin and the IUPAC name about this chemical is 8-hydroxy-6,7-dimethoxychromen-2-one. The molecular formula about this chemical is C11H10O5 and the molecular weight is 222.19. It belongs to the following product category which includes Coumarins.

Physical properties about 2H-1-Benzopyran-2-one,8-hydroxy-6,7-dimethoxy- are: (1)ACD/LogP: 0.56; (2)ACD/LogD (pH 5.5): 0.55; (3)ACD/LogD (pH 7.4): 0.25; (4)ACD/BCF (pH 5.5): 1.55; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 47.37; (7)ACD/KOC (pH 7.4): 23.63; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.99 Å2; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 55 cm3; (14)Molar Volume: 163.5 cm3; (15)Polarizability: 21.8x10-24cm3; (16)Surface Tension: 51.5 dyne/cm; (17)Density: 1.358 g/cm3; (18)Flash Point: 171 °C; (19)Enthalpy of Vaporization: 70.5 kJ/mol; (20)Boiling Point: 424.2 °C at 760 mmHg; (21)Vapour Pressurec8.51E-08 mmHg at 25 °C.

Uses of 2H-1-Benzopyran-2-one,8-hydroxy-6,7-dimethoxy-: it can be used to produce 6,7-dimethoxy-8-oxiranylmethoxy-chromen-2-one with chloromethyl-oxirane. This reaction will need reagent of K2CO3. This reaction needs heating and the reaction time is 14 hours. The yield is about 80%.

2H-1-Benzopyran-2-one,8-hydroxy-6,7-dimethoxy- can be used to produce 6,7-dimethoxy-8-oxiranylmethoxy-chromen-2-one with chloromethyl-oxirane.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1c(O)c(OC)c(OC)cc1\C=C\2
(2)InChI: InChI=1/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
(3)InChIKey: QNFBKOHHLAWWTC-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
(5)Std. InChIKey: QNFBKOHHLAWWTC-UHFFFAOYSA-N