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63896-87-7

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Basic Information
CAS No.: 63896-87-7
Name: 2,3-DICHLOROACETOACETANILIDE
Molecular Structure:
Molecular Structure of 63896-87-7 (2,3-DICHLOROACETOACETANILIDE)
Formula: C10H9Cl2NO2
Molecular Weight: 246.093
Synonyms: 2',3'-Dichloroacetoacetanilide;2,3-Dichloroacetoacetanilide;
Density: 1.393 g/cm3
Boiling Point: 415.4 °C at 760 mmHg
Flash Point: 205 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 46.17000
LogP: 2.98400
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Specification

The Butanamide,N-(2,3-dichlorophenyl)-3-oxo-, with the CAS registry number 63896-87-7, is also known as 2,3-Dichloroacetoacetanilide. This chemical's molecular formula is C10H9Cl2NO2 and molecular weight is 246.09. What's more, both its IUPAC name and systematic name are the same which is called N-(2,3-Dichlorophenyl)-3-oxobutanamide.

Physical properties about Butanamide,N-(2,3-dichlorophenyl)-3-oxo- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 10.45; (6)ACD/BCF (pH 7.4): 10.24; (7)ACD/KOC (pH 5.5): 186.68; (8)ACD/KOC (pH 7.4): 182.86; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 59.61 cm3; (15)Molar Volume: 176.5 cm3; (16)Polarizability: 23.63×10-24 cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.393 g/cm3; (19)Flash Point: 205 °C; (20)Enthalpy of Vaporization: 66.85 kJ/mol; (21)Boiling Point: 415.4 °C at 760 mmHg; (22)Vapour Pressure: 4.12E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(NC(=O)CC(=O)C)cccc1Cl
(2) InChI: InChI=1/C10H9Cl2NO2/c1-6(14)5-9(15)13-8-4-2-3-7(11)10(8)12/h2-4H,5H2,1H3,(H,13,15)
(3) InChIKey: FDTQHEASYFCFLI-UHFFFAOYAM