CAS No.65399-05-5,5-Aminophthalide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65399-05-5
Name:	5-Aminophthalide
Article Data:	13

Formula:	C₈H₇NO₂
Molecular Weight:	149.149
Synonyms:	Phthalide,5-amino- (6CI);1-Oxo-1,3-dihydroisobenzofuran-5-amine;5-Amino-2-benzofuran-1(3H)-one;5-Aminoisobenzofuran-1(3H)-one;5-Amino-3H-isobenzofuran-1-one;
EINECS:	265-731-1
Density:	1.377 g/cm³
Melting Point:	178 °C
Boiling Point:	438.573 °C at 760 mmHg
Flash Point:	261.77 °C
Hazard Symbols:	Xi
Risk Codes:	Xi:; "> Xi:;
PSA:	52.32000
LogP:	1.52040

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Specification

The 5-Aminophthalide, with the CAS registry number 65399-05-5, is also known as 5-Amino-3H-isobenzofuran-1-one. It belongs to the product category of Phthalides. Its EINECS number is 265-731-1. This chemical's molecular formula is C₈H₇NO₂ and molecular weight is 149.15. What's more, its systematic name is 5-Amino-2-benzofuran-1(3H)-one.

Physical properties of 5-Aminophthalide are: (1)ACD/LogP: 0.207; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 30.85; (8)ACD/KOC (pH 7.4): 30.86; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 39.787 cm³; (15)Molar Volume: 108.346 cm³; (16)Polarizability: 15.773×10^-24cm³; (17)Surface Tension: 63.55 dyne/cm; (18)Density: 1.377 g/cm³; (19)Flash Point: 261.77 °C; (20)Enthalpy of Vaporization: 69.538 kJ/mol; (21)Boiling Point: 438.573 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-amino-isoindole-1,3-dione at the temperature of 70 - 80 °C. This reaction will need reagents NaOH, Zn, CuSO₄ and solvent H₂O. The yield is about 100%.

5-Aminophthalide can be prepared by 5-amino-isoindole-1,3-dione at the temperature of 70 - 80 °C

Uses of 5-Aminophthalide: it can be used to produce 5-dimethylamino-3H-isobenzofuran-1-one at the temperature of 125 - 135 °C. The reaction time is 1 hour. The yield is about 44.5%.

5-Aminophthalide can be used to produce 5-dimethylamino-3H-isobenzofuran-1-one at the temperature of 125 - 135 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCc2cc(ccc12)N
(2)Std. InChI: InChI=1S/C8H7NO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4,9H2
(3)Std. InChIKey: ISMUWQMUWFPFBZ-UHFFFAOYSA-N