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CAS No.: | 33715-64-9 |
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Name: | 2,2,2-trichloro-N-(2,5-dichlorophenyl)acetamide |
Molecular Structure: | |
Formula: | C8H4Cl5NO |
Molecular Weight: | 307.39 |
Synonyms: | Acetanilide,2,2,2,2',5'-pentachloro- (8CI);NSC 406704;2,2,2-Trichloro-N-(2,5-dichlorophenyl)acetamide;α,α,α,2,5-Pentachloroacetanilide; |
Density: | 1.701 g/cm3 |
Boiling Point: | 370 °C at 760 mmHg |
Flash Point: | 177.6 °C |
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The Acetamide,2,2,2-trichloro-N-(2,5-dichlorophenyl)-, with the CAS registry number 33715-64-9, is also known as α,α,α,2,5-Pentachloroacetanilide. This chemical's molecular formula is C8H4Cl5NO and molecular weight is 307.39. What's more, its systematic name is 2,2,2-Trichloro-N-(2,5-dichlorophenyl)acetamide.
Physical properties of Acetamide,2,2,2-trichloro-N-(2,5-dichlorophenyl)- are: (1)ACD/LogP: 4.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.8; (5)ACD/BCF (pH 5.5): 2661.21; (6)ACD/BCF (pH 7.4): 2589.06; (7)ACD/KOC (pH 5.5): 9845.18; (8)ACD/KOC (pH 7.4): 9578.24; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 64.82 cm3; (15)Molar Volume: 180.6 cm3; (16)Polarizability: 25.69×10-24 cm3; (17)Surface Tension: 55.5 dyne/cm; (18)Density: 1.701 g/cm3; (19)Flash Point: 177.6 °C; (20)Enthalpy of Vaporization: 61.69 kJ/mol; (21)Boiling Point: 370 °C at 760 mmHg; (22)Vapour Pressure: 1.14E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)NC(=O)C(Cl)(Cl)Cl)Cl
(2)InChI: InChI=1S/C8H4Cl5NO/c9-4-1-2-5(10)6(3-4)14-7(15)8(11,12)13/h1-3H,(H,14,15)
(3)InChIKey: WKBFRYPEBOWXGM-UHFFFAOYSA-N