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28272-93-7

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Basic Information
CAS No.: 28272-93-7
Name: N,N''-BIS-(2-CHLORO-PHENYL)-MALONAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 28272-93-7 (N,N''-BIS-(2-CHLORO-PHENYL)-MALONAMIDE)
Formula: C15H12Cl2N2O2
Molecular Weight: 323.178
Synonyms: Malonanilide,2',2''-dichloro- (8CI);Propanediamide, N,N'-bis(2-chlorophenyl)- (9CI);2,2'-Dichloromalonanilide;N,N'-bis(2-chlorophenyl)propanediamide;N,N'-Bis(2-chlorophenyl)malonamide;N,N'-Bis-(2-chloro-phenyl)-malonamide;propanediamide, N1,N3-bis(2-chlorophenyl)-;
Density: 1.443 g/cm3
Boiling Point: 582 °C at 760 mmHg
Flash Point: 305.8 °C
PSA: 58.20000
LogP: 4.10670
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Specification

The Propanediamide,N1,N3-bis(2-chlorophenyl)-, with the CAS registry number 28272-93-7, has the sydtematic name of N,N'-bis(2-chlorophenyl)propanediamide. It is a kind of organics, and the molecular formula of the chemical is C15H12Cl2N2O2.

The characteristics of Propanediamide,N1,N3-bis(2-chlorophenyl)- are as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 41.63; (6)ACD/BCF (pH 7.4): 5.64; (7)ACD/KOC (pH 5.5): 489.88; (8)ACD/KOC (pH 7.4): 66.34; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.62 Å2; (13)Index of Refraction: 1.675; (14)Molar Refractivity: 84.15 cm3; (15)Molar Volume: 223.8 cm3; (16)Polarizability: 33.36×10-24cm3; (17)Surface Tension: 59.5 dyne/cm; (18)Density: 1.443 g/cm3; (19)Flash Point: 305.8 °C; (20)Enthalpy of Vaporization: 87.02 kJ/mol; (21)Boiling Point: 582 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-13 mmHg at 25°C.

Uses of Propanediamide,N1,N3-bis(2-chlorophenyl)-: It can be used to produce 2,2-dichloro-N1,N3-bis-(2-chloro-phenyl)-propanediimidoyl dichloride. This reaction will need reagent PCl5, and the menstruum toluene. The reaction time is 5 hours with heating, and the yield is about 45%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2ccccc2NC(=O)CC(=O)Nc1ccccc1Cl
(2)InChI: InChI=1/C15H12Cl2N2O2/c16-10-5-1-3-7-12(10)18-14(20)9-15(21)19-13-8-4-2-6-11(13)17/h1-8H,9H2,(H,18,20)(H,19,21)
(3)InChIKey: RFCMRQCFUIALCR-UHFFFAOYAF