8-allyl-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran is a complex organic compound belonging to the class of benzopyrans, which are derivatives of the parent compound benzopyran. This specific compound features a benzopyran core structure, with a phenyl group at the 2-position, an allyl group at the 8-position, a methyl group at the 3-position, and a carbonyl group at the 4-position. The compound is characterized by its molecular formula C18H14O3 and a molecular weight of 274.30 g/mol. It is an important intermediate in the synthesis of various pharmaceuticals and natural products, such as flavonoids, due to its unique structure and reactivity. The compound's properties, such as solubility and stability, can be influenced by the presence of functional groups and the overall molecular structure, making it a versatile building block in organic synthesis.
4412-35-5
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Basic information
- Product Name: 3-Methyl-2-phenyl-8-(2-propenyl)-4H-1-benzopyran-4-one
- Synonyms: 3-Methyl-2-phenyl-8-(2-propenyl)-4H-1-benzopyran-4-one;8-Allyl-3-methylflavone
- CAS NO:4412-35-5
- Molecular Formula: C19H16O2
- Molecular Weight: 276.33
- EINECS: N/A
- Product Categories: N/A
- Mol File: 4412-35-5.mol
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Chemical Properties
- Melting Point: 87-89 °C(Solv: ligroine (8032-32-4))
- Boiling Point: 428.348°C at 760 mmHg
- Flash Point: 188.784°C
- Appearance: /
- Density: 1.143g/cm3
- Vapor Pressure: 0mmHg at 25°C
- Refractive Index: 1.601
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 3-Methyl-2-phenyl-8-(2-propenyl)-4H-1-benzopyran-4-one(CAS DataBase Reference)
- NIST Chemistry Reference: 3-Methyl-2-phenyl-8-(2-propenyl)-4H-1-benzopyran-4-one(4412-35-5)
- EPA Substance Registry System: 3-Methyl-2-phenyl-8-(2-propenyl)-4H-1-benzopyran-4-one(4412-35-5)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 4412-35-5(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 4412-35-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,1 and 2 respectively; the second part has 2 digits, 3 and 5 respectively.Calculate Digit Verification of CAS Registry Number 4412-35:
(6*4)+(5*4)+(4*1)+(3*2)+(2*3)+(1*5)=65
65 % 10 = 5
So 4412-35-5 is a valid CAS Registry Number.
InChI:InChI=1/C19H16O2/c1-3-8-14-11-7-12-16-17(20)13(2)18(21-19(14)16)15-9-5-4-6-10-15/h3-7,9-12H,1,8H2,2H3
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3-Methyl-2-phenyl-8-(2-propenyl)-4H-1-benzopyran-4-one
