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53348-92-8

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Basic Information
CAS No.: 53348-92-8
Name: 4-AMINO-CHROMEN-2-ONE
Article Data: 2
Molecular Structure:
Molecular Structure of 53348-92-8 (4-AMINO-CHROMEN-2-ONE)
Formula: C9H7NO2
Molecular Weight: 161.16
Synonyms: Coumarin,4-amino- (7CI);4-Aminochromen-2-one;4-Aminocoumarin;
Density: 1.313 g/cm3
Melting Point: 161.5-162 °C
Boiling Point: 338.9 °C at 760 mmHg
Flash Point: 186.6 °C
Risk Codes: 36/37/38
Safety: 26-36/37
PSA: 56.23000
LogP: 1.95640
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Specification

The CAS register number of 2H-1-Benzopyran-2-one,4-amino- is 53348-92-8. It also can be called as 4-Aminocoumarin and the systematic name about this chemical is 4-amino-2H-chromen-2-one. The molecular formula about this chemical is C9H7NO2 and the molecular weight is 161.16. It belongs to the following product category which includes pharmacetical.

Physical properties about 2H-1-Benzopyran-2-one,4-amino- are: (1)ACD/LogP: 1.17; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 29.54 Å2; (6)Index of Refraction: 1.624; (7)Molar Refractivity: 43.31 cm3; (8)Molar Volume: 122.6 cm3; (9)Polarizability: 17.17x10-24cm3; (10)Surface Tension: 53.4 dyne/cm; (11)Density: 1.313 g/cm3; (12)Flash Point: 186.6 °C; (13)Enthalpy of Vaporization: 58.23 kJ/mol; (14)Boiling Point: 338.9 °C at 760 mmHg; (15)Vapour Pressure: 9.51E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-hydroxy-chromen-2-one. This reaction will need reagent of CH3COONH4 and microwave irradiation. The reaction time is 30 s. The yield is about 92%.

2H-1-Benzopyran-2-one,4-amino- can be prepared by 4-hydroxy-chromen-2-one.

Uses of 2H-1-Benzopyran-2-one,4-amino-: it can be used to produce microwave irradiation with (1,1-dimethoxy-ethyl)-dimethyl-amine. The reaction time is 2 hours with reaction temperature of 80 °C. The yield is about 94%.

2H-1-Benzopyran-2-one,4-amino- can be used to produce microwave irradiation with (1,1-dimethoxy-ethyl)-dimethyl-amine.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C/2Oc1ccccc1\C(=C\2)N
(2)InChI: InChI=1/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2
(3)InChIKey: AHZAKFLOHIRCDU-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H7NO2/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5H,10H2
(5)Std. InChIKey: AHZAKFLOHIRCDU-UHFFFAOYSA-N

The toxicity data are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1780mg/kg (1780mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.
mouse LD50 oral > 5gm/kg (5000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.