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2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy-

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Name

2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy-

EINECS N/A
CAS No. 483-66-9 Density 1.368 g/cm3
PSA 52.58000 LogP 2.54780
Solubility N/A Melting Point 189-191 °C
Formula C12H8O4 Boiling Point 413 °C at 760 mmHg
Molecular Weight 216.193 Flash Point 203.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 483-66-9 (sphondin) Hazard Symbols N/A
Synonyms

Sphondin;2H-Furo[2,3-h]-1-benzopyran-2-one,6- methoxy-;6-Methoxy-2H-furo(2,3-h)-1-benzopyran-2-one;

Article Data 5

2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy- Specification

The CAS register number of 2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy- is 483-66-9. It also can be called as Sphondin and the IUPAC name about this chemical is 6-methoxyfuro[2,3-h]chromen-2-one. The molecular formula about this chemical is C12H8O4 and the molecular weight is 216.19312.

Physical properties about 2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy- are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): 1.83; (3)ACD/LogD (pH 7.4): 1.83; (4)ACD/BCF (pH 5.5): 14.41; (5)ACD/BCF (pH 7.4): 14.41; (6)ACD/KOC (pH 5.5): 234.93; (7)ACD/KOC (pH 7.4): 234.93; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 48.67 Å2; (11)Index of Refraction: 1.635; (12)Molar Refractivity: 56.58 cm3; (13)Molar Volume: 158 cm3; (14)Polarizability: 22.43x10-24cm3; (15)Surface Tension: 52 dyne/cm; (16)Density: 1.368 g/cm3; (17)Flash Point: 203.6 °C; (18)Enthalpy of Vaporization: 66.57 kJ/mol; (19)Boiling Point: 413 °C at 760 mmHg; (20)Vapour Pressure: 4.96E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by 6-methoxy-(2H)-furo[2,3-h]-1-benzopyran. This reaction will need reagents of chromium trioxide, pyridine and solvent of CH2Cl2. The reaction time is 7 hours. The yield is about 52%.

2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy- can be prepared by 6-methoxy-(2H)-furo[2,3-h]-1-benzopyran.

Uses of 2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy-: it can be used to produce 6-methoxy-8-nitro-furo[2,3-h]chromen-2-one. This reaction will need reagent of HNO3 and solvent of acetic anhydride. The reaction time is 2 hours with reaction temperature of -10 °C. The yield is about 60%.

2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy- can be used to produce 6-methoxy-8-nitro-furo[2,3-h]chromen-2-one.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/1Oc3c(\C=C\1)cc(OC)c2occc23
(2)InChI: InChI=1/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3
(3)InChIKey: DLCJNIBLOSKIQW-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3
(5)Std. InChIKey: DLCJNIBLOSKIQW-UHFFFAOYSA-N

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