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4H-1-Benzopyran-2-carboxylicacid, 6-methyl-4-oxo-

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Name

4H-1-Benzopyran-2-carboxylicacid, 6-methyl-4-oxo-

EINECS N/A
CAS No. 5006-44-0 Density 1.421 g/cm3
PSA 67.51000 LogP 1.79960
Solubility N/A Melting Point 267-270 °C(lit.)
Formula C11H8O4 Boiling Point 367.2 °C at 760 mmHg
Molecular Weight 204.18 Flash Point 148.4 °C
Transport Information N/A Appearance Almost white crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5006-44-0 (6-METHYLCHROMONE-2-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

6-Methylchromone-2-Carboxylic Acid;

Article Data 8

4H-1-Benzopyran-2-carboxylicacid, 6-methyl-4-oxo- Specification

The 4H-1-Benzopyran-2-carboxylicacid, 6-methyl-4-oxo-, with the CAS registry number of 5006-44-0, is also known as 6-Methylchromone-2-Carboxylic Acid. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzopyrans; Building Blocks; Heterocyclic Building Blocks. Its molecular formula is C11H8O4 and molecular weight is 204.18. What's more, its IUPAC name is 6-Methyl-4-oxo-4H-chromene-2-carboxylic. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 4H-1-Benzopyran-2-carboxylicacid, 6-methyl-4-oxo- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.623; (12)Molar Refractivity: 50.69 cm3; (13)Molar Volume: 143.6 cm3; (14)Surface Tension: 61.6 dyne/cm; (15)Density: 1.421 g/cm3; (16)Flash Point: 148.4 °C; (17)Enthalpy of Vaporization: 64.74 kJ/mol; (18)Boiling Point: 367.2 °C at 760 mmHg; (19)Vapour Pressure: 4.89E-06 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 5-(2-Hdroxy-5-methylphenyl)-3-isoxazolecarboxylic acid. This reaction needs reagent NaOH. The reaction time is 48 h. The yield is about 83 %.

The 4H-1-Benzopyran-2-carboxylicacid, 6-methyl-4-oxo- is used to produce 5-(2-Hdroxy-5-methylphenyl)-3-isoxazolecarboxylic acid

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c2c(O/C(=C/1)C(=O)O)ccc(c2)C
(2) InChI: InChI=1/C11H8O4/c1-6-2-3-9-7(4-6)8(12)5-10(15-9)11(13)14/h2-5H,1H3,(H,13,14)
(3) InChIKey: RKIDLZFIIVDZNX-UHFFFAOYAX

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