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CAS No.: | 1635-31-0 |
---|---|
Name: | 3-AMINOCOUMARIN |
Article Data: | 46 |
Molecular Structure: | |
Formula: | C9H7NO2 |
Molecular Weight: | 161.16 |
Synonyms: | Coumarin,3-amino- (6CI,7CI,8CI);3-Amino-2H-1-benzopyran-2-one;3-Aminocoumarin; |
EINECS: | 216-659-4 |
Density: | 1.314 g/cm3 |
Melting Point: | 135-139 °C(lit.) |
Boiling Point: | 355.242 °C at 760 mmHg |
Flash Point: | 199.282 °C |
Appearance: | Solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 56.23000 |
LogP: | 1.95640 |
The 2H-1-Benzopyran-2-one,3-amino- is an organic compound with the formula C9H7NO2. The IUPAC name of this chemical is 3-Aminochromen-2-one. With the CAS registry number 1635-31-0, it is also named as 3-Amino-2-benzopyrone. The product's categories are Coumarins; Amines; Fused ring systems; Building blocks; Heterocyclic building blocks. Besides, its molecular weight is 161.1574. And it should be stored in a sealed, dry, cool place.
Physical properties about 2H-1-Benzopyran-2-one,3-amino- are: (1)ACD/LogP: 1.17; (2)ACD/LogD (pH 5.5): 1.16; (3)ACD/LogD (pH 7.4): 1.17; (4)ACD/BCF (pH 5.5): 4.5; (5)ACD/BCF (pH 7.4): 4.53; (6)ACD/KOC (pH 5.5): 102.06; (7)ACD/KOC (pH 7.4): 102.59; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.54 Å2; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 43.31 cm3; (14)Molar Volume: 122.6 cm3; (15)Polarizability: 17.17×10-24 cm3; (16)Surface Tension: 53.4 dyne/cm; (17)Density: 1.313 g/cm3; (18)Flash Point: 199.3 °C; (19)Enthalpy of Vaporization: 60.04 kJ/mol; (20)Boiling Point: 355.2 °C at 760 mmHg; (21)Vapour Pressure: 3.17E-05 mmHg at 25 °C.
Preparation: this chemical can be prepared by 3-Acetylamino-chromen-2-one. This reaction will need reagent Hydrochloric acid and solvent Ethanol. The reaction time is 2 hours with reaction temperature of 150 - 160 °C. The yield is about 78%.
Uses of 2H-1-Benzopyran-2-one,3-amino-: it can be used to produce 2N-(2-Oxo-2H-1-benzopyran-3-yl)phthalamic acid. It will need solvent CHCl3 with reaction time of 6 hours. The yield is about 75%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H7NO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,10H2
(2)InChIKey: QWZHDKGQKYEBKK-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C9H7NO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H,10H2
(4)Std. InChIKey: QWZHDKGQKYEBKK-UHFFFAOYSA-N