CAS No.55579-70-9,5-(2,4-DICHLOROPHENYL)CYCLOHEXANE-1,3-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	55579-70-9
Name:	5-(2,4-DICHLOROPHENYL)CYCLOHEXANE-1,3-DIONE
Article Data:	3

Formula:	C₁₂H₁₀Cl₂O₂
Molecular Weight:	257.116
Synonyms:	5-(2,4-Dichlorophenyl)-1,3-cyclohexanedione;5-(2,4-dichlorophenyl)cyclohexane-1,3-dione;1,3-Cyclohexanedione, 5-[2,4-dichlorophenyl]-;
Density:	1.371 g/cm³
Boiling Point:	392.9 °C at 760 mmHg
Flash Point:	166.1 °C
PSA:	34.14000
LogP:	3.39910

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Specification

The 1,3-Cyclohexanedione,5-(2,4-dichlorophenyl)-, with the CAS registry number 55579-70-9, has the systematic name of 5-(2,4-dichlorophenyl)cyclohexane-1,3-dione. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₂H₁₀Cl₂O₂.

The characteristics of 1,3-Cyclohexanedione,5-(2,4-dichlorophenyl)- are as followings: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 3.15; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42.95; (8)ACD/KOC (pH 7.4): 1.76; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 62.16 cm³; (15)Molar Volume: 187.5 cm³; (16)Polarizability: 24.64×10^-24cm³; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.371 g/cm³; (19)Flash Point: 166.1 °C; (20)Enthalpy of Vaporization: 64.28 kJ/mol; (21)Boiling Point: 392.9 °C at 760 mmHg; (22)Vapour Pressure: 2.21E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(Cl)c(cc1)C2CC(=O)CC(=O)C2
(2)InChI: InChI=1/C12H10Cl2O2/c13-8-1-2-11(12(14)5-8)7-3-9(15)6-10(16)4-7/h1-2,5,7H,3-4,6H2
(3)InChIKey: YZKLUEWQADEGKP-UHFFFAOYAX