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148843-77-0

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Basic Information
CAS No.: 148843-77-0
Name: 7-Amino-3-methylphthalide
Article Data: 5
Molecular Structure:
Molecular Structure of 148843-77-0 (7-Amino-3-methylphthalide)
Formula: C9H9NO2
Molecular Weight: 163.176
Synonyms: 1(3H)-isobenzofuranone, 7-amino-3-methyl-;7-Amino-3-methyl-2-benzofuran-1(3H)-one
Density: 1.271 g/cm3
Melting Point: 76-76.5 °C(Solv: ligroine (8032-32-4))
Boiling Point: 350.6 °C at 760 mmHg
Flash Point: 195.7 °C
PSA: 52.32000
LogP: 2.08140
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Specification

The 7-Amino-3-methylphthalide, with the CAS registry number 148843-77-0, is also known as 1(3H)-Isobenzofuranone, 7-amino-3-methyl-. This chemical's molecular formula is C9H9NO2 and molecular weight is 163.1733. Its systematic name is called 7-amino-3-methyl-2-benzofuran-1(3H)-one.

Physical properties of 7-Amino-3-methylphthalide: (1)ACD/LogP: 1.32; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.61; (6)Molar Refractivity: 44.49 cm3; (7)Molar Volume: 128.3 cm3; (8)Surface Tension: 51.5 dyne/cm; (9)Density: 1.271 g/cm3; (10)Flash Point: 195.7 °C; (11)Enthalpy of Vaporization: 59.52 kJ/mol; (12)Boiling Point: 350.6 °C at 760 mmHg; (13)Vapour Pressure: 4.35E-05 mmHg at 25°C.

Preparation of 7-Amino-3-methylphthalide: this chemical can be prepared by 7-Amino-3-hydroxy-3-methyl-phthalid. This reaction will need reagents NaBH4, NaOH and solvent H2O. The reaction time is 1 hour. The yield is about 80.9%.

7-Amino-3-methylphthalide can be prepared by 7-Amino-3-hydroxy-3-methyl-phthalid

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(c2cccc(c12)N)C
(2)InChI: InChI=1/C9H9NO2/c1-5-6-3-2-4-7(10)8(6)9(11)12-5/h2-5H,10H2,1H3
(3)InChIKey: JIOGJHYMEJMJOO-UHFFFAOYAO