N,N'-(2,5-Dichloro-1,4-phenylene)bis(3-oxobutanamide) supplier

Name
N,N'-(2,5-Dichloro-1,4-phenylene)bis(3-oxobutanamide)
EINECS 255-847-0
CAS No. 42487-09-2
Density 1.439 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₄Cl₂N₂O₄
Boiling Point 586.5°Cat760mmHg
Molecular Weight 345.182
Flash Point 308.5°C
Transport Information
Appearance Pale grey powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetoacetamide,N,N'-(2,5-dichloro-p-phenylene)bis- (6CI);1,4-Bis(Acetoacetamido)-2,5-dichlorobenzene;2,5-Bis(acetoacetamido)-1,4-dichlorobenzene;2,5-Dichloro-1,4-bis(acetylacetamido)benzene;NSC 166276;
PSA 92.34000
LogP 2.97460

N,N'-(2,5-Dichloro-1,4-phenylene)bis(3-oxobutanamide) Specification

The N,N'-(2,5-Dichloro-1,4-phenylene)bis(3-oxobutanamide), with the cas number 42487-09-2, is also called Butanamide,N,N'-(2,5-dichloro-1,4-phenylene)bis[3-oxo-. The IUPAC name is N-[2,5-dichloro-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide. Its EINECS registry number is 255-847-0. The molecular formula is C₁₄H₁₄Cl₂N₂O₄.

The properties of the chemical are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.5; (8)ACD/KOC (pH 7.4): 15.09; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 74.76 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 83.17 cm³; (15)Molar Volume: 239.7 cm³; (16)Polarizability: 32.97×10^-24cm³; (17)Surface Tension: 55.9 dyne/cm; (18)Enthalpy of Vaporization: 87.59 kJ/mol; (19)Vapour Pressure: 9.74×10^-14 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(Cl)cc1NC(=O)CC(=O)C)NC(=O)CC(=O)C
(2)InChI: InChI=1/C14H14Cl2N2O4/c1-7(19)3-13(21)17-11-5-10(16)12(6-9(11)15)18-14(22)4-8(2)20/h5-6H,3-4H2,1-2H3,(H,17,21)(H,18,22)
(3)InChIKey: UTAJOMREBNYBAJ-UHFFFAOYAU

Product Name

N,N'-(2,5-Dichloro-1,4-phenylene)bis(3-oxobutanamide)

N,N'-(2,5-Dichloro-1,4-phenylene)bis(3-oxobutanamide) Specification

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