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CAS No.: | 34797-69-8 |
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Name: | N-(4-CHLORO-2-NITRO-PHENYL)-3-OXO-BUTYRAMIDE |
Molecular Structure: | |
Formula: | C10H9ClN2O4 |
Molecular Weight: | 256.645 |
Synonyms: | Acetoacetanilide,4'-chloro-2'-nitro- (6CI);4-Chloro-2-nitroacetoacetanilide; |
Density: | 1.455 g/cm3 |
Melting Point: | 87 °C |
Boiling Point: | 458.282 °C at 760 mmHg |
Flash Point: | 230.961 °C |
PSA: | 91.99000 |
LogP: | 2.76200 |
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The Butanamide, N-(4-chloro-2-nitrophenyl)-3-oxo-, with the CAS registry number of 34797-69-8, is also known as 4-Chloro-2-nitroacetoacetanilide. This chemical's molecular formula is C10H9ClN2O4 and molecular weight is 256.64. What's more, its systematic name is called N-(4-Chloro-2-nitrophenyl)-3-oxobutanamide.
Physical properties about Butanamide, N-(4-chloro-2-nitrophenyl)-3-oxo- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.42; (6)ACD/BCF (pH 7.4): 14.39; (7)ACD/KOC (pH 5.5): 235.11; (8)ACD/KOC (pH 7.4): 234.49; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 83.2 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 61.26 cm3; (15)Molar Volume: 176.4 cm3; (16)Surface Tension: 58 dyne/cm; (17)Density: 1.454 g/cm3; (18)Flash Point: 231 °C; (19)Enthalpy of Vaporization: 71.86 kJ/mol; (20)Boiling Point: 458.3 °C at 760 mmHg; (21)Vapour Pressure: 1.39E-08 mmHg at 25 °C.
Uses of Butanamide, N-(4-chloro-2-nitrophenyl)-3-oxo-: it is used to produce other chemicals. For example, it is used to produce 6-Chloro-4-oxy-1H-quinoxalin-2-one. The reaction needs reagent 18 % KOH. The reaction time is 20 minutes with reaction temperature of 60-65 °C. The yield is about 86 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(c(NC(=O)CC(=O)C)cc1)[N+]([O-])=O
(2) InChI: InChI=1/C10H9ClN2O4/c1-6(14)4-10(15)12-8-3-2-7(11)5-9(8)13(16)17/h2-3,5H,4H2,1H3,(H,12,15)
(3) InChIKey: KLMIREBDPKVUQJ-UHFFFAOYAI