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509-77-3

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Basic Information
CAS No.: 509-77-3
Name: 3,3-bis(4-aminophenyl)phthalide
Article Data: 4
Molecular Structure:
Molecular Structure of 509-77-3 (3,3-bis(4-aminophenyl)phthalide)
Formula: C20H16N2O2
Molecular Weight: 316.359
Synonyms: Phthalide,3,3-bis(p-aminophenyl)- (7CI,8CI);3,3-Bis(4-aminophenyl)phthalide;3,3-Bis(p-aminophenyl)phthalide;4,4'-Phthalidylidenedianiline;Anilinephthalein;Bis(4'-aminophenyl)phthalide;
EINECS: 208-105-5
Density: 1.332 g/cm3
Melting Point: 203°
Boiling Point: 565.1 °C at 760 mmHg
Flash Point: 271 °C
PSA: 78.34000
LogP: 4.47570
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    3,3-bis(4-aminophenyl)phthalide

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  • 1(3H)-Isobenzofuranone,3,3-bis(4-aminophenyl)-

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    1(3H)-Isobenzofuranone,3,3-bis(4-aminophenyl)-

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  • 1(3H)-Isobenzofuranone,3,3-bis(4-aminophenyl)-

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    1(3H)-Isobenzofuranone,3,3-bis(4-aminophenyl)-

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    3,3-bis(4-aminophenyl)phthalide

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  • Anilinephthalein

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    509-77-3

    Anilinephthalein

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    The Anilinephthalein, with the CAS registry number 509-77-3, is also known as 1(3H)-Isobenzofuranone, 3,3-bis(4-aminophenyl)-. Its EINECS registry number is 208-105-5. This chemical's molecular formula is C20H16N2O2 and molecular weight is 316.

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Specification

The Anilinephthalein, with the CAS registry number 509-77-3, is also known as 1(3H)-Isobenzofuranone, 3,3-bis(4-aminophenyl)-. Its EINECS registry number is 208-105-5. This chemical's molecular formula is C20H16N2O2 and molecular weight is 316.3532. Its systematic name is called 3,3-bis(4-aminophenyl)-2-benzofuran-1(3H)-one.

Physical properties of Anilinephthalein: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.54; (4)ACD/BCF (pH 5.5): 7.99; (5)ACD/BCF (pH 7.4): 8.69; (6)ACD/KOC (pH 5.5): 150.38; (7)ACD/KOC (pH 7.4): 163.59; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.71; (12)Molar Refractivity: 92.81 cm3; (13)Molar Volume: 237.4 cm3; (14)Surface Tension: 66.4 dyne/cm; (15)Density: 1.332 g/cm3; (16)Flash Point: 271 °C; (17)Enthalpy of Vaporization: 84.88 kJ/mol; (18)Boiling Point: 565.1 °C at 760 mmHg; (19)Vapour Pressure: 8.63E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(c2ccccc12)(c3ccc(N)cc3)c4ccc(N)cc4
(2)InChI: InChI=1/C20H16N2O2/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12H,21-22H2
(3)InChIKey: PLYHMRQAXIKUIV-UHFFFAOYAP