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| CAS No.: | 15580-32-2 |
|---|---|
| Name: | 3-ANILINO-3-OXOPROPANOIC ACID |
| Molecular Structure: | |
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| Formula: | C9H9NO3 |
| Molecular Weight: | 179.175 |
| Synonyms: | Malonanilicacid (6CI,7CI,8CI);3-Oxo-3-(phenylamino)propanoic acid;Malonic acidmonophenylamide;N-Phenylmalonamic acid;NSC 83576;Phenylcarbamoylacetic acid; |
| Density: | 1.34 g/cm3 |
| Boiling Point: | 456.5 °C at 760 mmHg |
| Flash Point: | 229.9 °C |
| Appearance: | liquid |
| PSA: | 66.40000 |
| LogP: | 1.17280 |
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Specification
The Propanoic acid,3-oxo-3-(phenylamino)- is an organic compound with the formula C9H9NO3. The IUPAC name of this chemical is 3-Anilino-3-oxopropanoic acid. With the CAS registry number 15580-32-2, it is also named as 2-Carboxyacetanilide. Besides, its molecular weight is 179.17.
Physical properties about Propanoic acid,3-oxo-3-(phenylamino)- are: (1)ACD/LogP: 0.72; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 46.61 Å2; (10)Index of Refraction: 1.616; (11)Molar Refractivity: 46.72 cm3; (12)Molar Volume: 133.6 cm3; (13)Polarizability: 18.52×10-24 cm3; (14)Surface Tension: 60.4 dyne/cm; (15)Density: 1.34 g/cm3; (16)Flash Point: 229.9 °C; (17)Enthalpy of Vaporization: 75.49 kJ/mol; (18)Boiling Point: 456.5 °C at 760 mmHg; (19)Vapour Pressure: 3.99E-09 mmHg at 25 °C.
Preparation: this chemical can be prepared by Isothiocyanatobenzene. The reaction time is 15 min with reaction temperature of 160 - 170 °C. The yield is about 37%.
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Uses of Propanoic acid,3-oxo-3-(phenylamino)-: it can be used to produce 4-Hydroxy-1H-quinolin-2-one at temperature of 140 °C. It will need reagent polyphosphoric acid with reaction time of 3 hours. The yield is about 78%.
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You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H9NO3/c11-8(6-9(12)13)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)
(2)InChIKey: NOJXRHBIVBIMQY-UHFFFAOYAL
(3)Std. InChI: InChI=1S/C9H9NO3/c11-8(6-9(12)13)10-7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)(H,12,13)
(4)Std. InChIKey: NOJXRHBIVBIMQY-UHFFFAOYSA-N