Propanediamide,N1,N3-bis(2-chlorophenyl)- supplier

Name
N,N''-BIS-(2-CHLORO-PHENYL)-MALONAMIDE
EINECS
CAS No. 28272-93-7
Article Data4
CAS DataBase
Density 1.443 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂Cl₂N₂O₂
Boiling Point 582 °C at 760 mmHg
Molecular Weight 323.178
Flash Point 305.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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)-;
PSA 58.20000
LogP 4.10670

Propanediamide,N1,N3-bis(2-chlorophenyl)- 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

Product Name

N,N''-BIS-(2-CHLORO-PHENYL)-MALONAMIDE

Propanediamide,N1,N3-bis(2-chlorophenyl)- Specification

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