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2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy-

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Name

2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy-

EINECS N/A
CAS No. 17575-15-4 Density 1.412 g/cm3
PSA 59.67000 LogP 1.50720
Solubility N/A Melting Point 263-265 °C
Formula C10H8O4 Boiling Point 390.141 °C at 760 mmHg
Molecular Weight 192.171 Flash Point 161.977 °C
Transport Information N/A Appearance Brown solid
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17575-15-4 (4-HYDROXY-7-METHOXYCOUMARIN) Hazard Symbols IrritantXi
Synonyms

Coumarin,4-hydroxy-7-methoxy- (8CI);Herniarin, 4-hydroxy- (6CI);4-Hydroxy-7-methoxy-2H-1-benzopyran-2-one;4-Hydroxy-7-methoxycoumarin;7-Methoxy-4-hydroxycoumarin;

Article Data 50

2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy- Specification

The CAS register number of 2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy- is 17575-15-4. It also can be called as 7-Methoxy-4-hydroxycoumarin and the systematic name about this chemical is 4-hydroxy-7-methoxy-2H-chromen-2-one. The molecular formula about this chemical is C10H8O4 and the molecular weight is 192.17. It belongs to the following product categories which include Fluorescent Labels and Indicators; Aromatics; Fluorescent Labels & Indicators and so on.

Physical properties about 2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy- are: (1)ACD/LogP: 2.25; (2)ACD/LogD (pH 7.4): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 15; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 55.76 Å2; (11)Index of Refraction: 1.624; (12)Molar Refractivity: 48.032 cm3; (13)Molar Volume: 136.079 cm3; (14)Polarizability: 19.041x10-24cm3; (15)Surface Tension: 59.246 dyne/cm; (16)Density: 1.412 g/cm3; (17)Flash Point: 161.977 °C; (18)Enthalpy of Vaporization: 67.456 kJ/mol; (19)Boiling Point: 390.141 °C at 760 mmHg.

Preparation: this chemical can be prepared by 3-methoxy-phenol and malonic acid. This reaction will need reagent of phosphorus oxychloride. The reaction time is 4 hours with reaction temperature of 105 °C. The yield is about 54%.

2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy- can be prepared by 3-methoxy-phenol and malonic acid.

Uses of 2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy-: it can be used to produce 7-methoxy-4-(3-methyl-but-2-enyloxy)-chromen-2-one with 1-bromo-3-methyl-but-2-ene. This reaction will need reagent of K2CO3 and solvent of acetone. The yield is about 42%.

 2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy- can be used to produce 7-methoxy-4-(3-methyl-but-2-enyloxy)-chromen-2-one with 1-bromo-3-methyl-but-2-ene.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc2c(c1)OC(=O)/C=C2/O
(2)InChI: InChI=1/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
(3)InChIKey: MJBHLQMPKBMZSF-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
(5)Std. InChIKey: MJBHLQMPKBMZSF-UHFFFAOYSA-N

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