Propanediamide,N1,N3-bis(2,5-dichlorophenyl)- supplier

Name
N,N''-BIS-(2,5-DICHLORO-PHENYL)-MALONAMIDE
EINECS
CAS No. 116476-54-1
Article Data2
CAS DataBase
Density 1.582 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₀Cl₄N₂O₂
Boiling Point 608.4 °C at 760 mmHg
Molecular Weight 392.069
Flash Point 321.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanediamide,N,N'-bis(2,5-dichlorophenyl)- (9CI);
PSA 65.18000
LogP 6.56650

Propanediamide,N1,N3-bis(2,5-dichlorophenyl)- Specification

The CAS registry number of Propanediamide,N1,N3-bis(2,5-dichlorophenyl)- is 116476-54-1. This chemical is also named as N,N'-Bis-(2,5-dichloro-phenyl)-malonamide. In addition, its molecular formula is C₁₅H₁₀Cl₄N₂O₂ and molecular weight is 392.068. Its systematic name and IUPAC name are the same which is called N,N'-bis(2,5-dichlorophenyl)propanediamide.

Physical properties about Propanediamide,N1,N3-bis(2,5-dichlorophenyl)- are: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 368.93; (6)ACD/BCF (pH 7.4): 27.45; (7)ACD/KOC (pH 5.5): 2272.61; (8)ACD/KOC (pH 7.4): 169.09; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.682; (13)Molar Refractivity: 93.94 cm³; (14)Molar Volume: 247.7 cm³; (15)Surface Tension: 61.3 dyne/cm; (16)Density: 1.582 g/cm³; (17)Flash Point: 321.7 °C; (18)Enthalpy of Vaporization: 90.39 kJ/mol; (19)Boiling Point: 608.4 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(Cl)cc2NC(=O)CC(=O)Nc1cc(Cl)ccc1Cl
(2)InChI: InChI=1/C15H10Cl4N2O2/c16-8-1-3-10(18)12(5-8)20-14(22)7-15(23)21-13-6-9(17)2-4-11(13)19/h1-6H,7H2,(H,20,22)(H,21,23)
(3)InChIKey: YSQOJZQREQNKQO-UHFFFAOYAR

Product Name

N,N''-BIS-(2,5-DICHLORO-PHENYL)-MALONAMIDE

Propanediamide,N1,N3-bis(2,5-dichlorophenyl)- Specification

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