4-Aminophthalide supplier | CasNO.59434-19-4

Name
4-Aminophthalide
EINECS
CAS No. 59434-19-4
Article Data9
CAS DataBase
Density 1.377 g/cm³
Solubility
Melting Point 154-155 °C
Formula C₈H₇NO₂
Boiling Point 411.012 °C at 760 mmHg
Molecular Weight 149.149
Flash Point 241.528 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Phthalide,4-amino- (6CI);4-Amino-2-benzofuran-1(3H)-one;4-Amino-3H-isobenzofuran-1-one;4-Aminophthalide;
PSA 52.32000
LogP 1.52040

4-Aminophthalide Specification

The CAS register number of 4-Aminophthalide is 59434-19-4. It also can be called as 4-Amino-3H-isobenzofuran-1-one and the systematic name about this chemical is 4-amino-2-benzofuran-1(3H)-one. The molecular formula about this chemical is C₈H₇NO₂and molecular weight is 149.15. It belongs to the following product categories which include Heterocycles; Heterocyclic Compound and so on.

Physical properties about 4-Aminophthalide are: (1)ACD/LogP: -0.39; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 19; (5)ACD/KOC (pH 7.4): 19; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 52.32Å²; (10)Index of Refraction: 1.656; (11)Molar Refractivity: 39.787 cm³; (12)Molar Volume: 108.346 cm³; (13)Polarizability: 15.773x10^-24cm³; (14)Surface Tension: 63.55 dyne/cm; (15)Enthalpy of Vaporization: 66.343 kJ/mol; (16)Boiling Point: 411.012 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OCc1c2cccc1N
(2)InChI: InChI=1/C8H7NO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4,9H2
(3)InChIKey: KOIAVJZQMYBLJJ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H7NO2/c9-7-3-1-2-5-6(7)4-11-8(5)10/h1-3H,4,9H2
(5)Std. InChIKey: KOIAVJZQMYBLJJ-UHFFFAOYSA-N

Product Name

4-Aminophthalide

4-Aminophthalide Specification

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