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| Name |
Acetamide,N-(4,6-dichloro-5-pyrimidinyl)-2,2,2-trifluoro-N-methyl- |
EINECS | N/A |
| CAS No. | 781-28-2 | Density | 1.633 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H4Cl2F3N3O | Boiling Point | 335.8 °C at 760 mmHg |
| Molecular Weight | 274.029 | Flash Point | 156.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Pyrimidine,4,6-dichloro-5-(2,2,2-trifluoro-N-methylacetamido)- (7CI,8CI);NSC 69491;N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide; |
Acetamide,N-(4,6-dichloro-5-pyrimidinyl)-2,2,2-trifluoro-N-methyl- Specification
The Acetamide,N-(4,6-dichloro-5-pyrimidinyl)-2,2,2-trifluoro-N-methyl-, with the CAS registry number 781-28-2, has systematic name and IUPAC name of N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide. And the molecular formula of the chemical is C7H4Cl2F3N3O.
The characteristics of Acetamide,N-(4,6-dichloro-5-pyrimidinyl)-2,2,2-trifluoro-N-methyl- are as followings: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.09 Å2; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 51.65 cm3; (9)Molar Volume: 167.7 cm3; (10)Polarizability: 20.47×10-24cm3; (11)Surface Tension: 46.3 dyne/cm; (12)Density: 1.633 g/cm3; (13)Flash Point: 156.9 °C; (14)Enthalpy of Vaporization: 57.89 kJ/mol; (15)Boiling Point: 335.8 °C at 760 mmHg; (16)Vapour Pressure: 0.000117 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ncnc(Cl)c1N(C(=O)C(F)(F)F)C
(2)InChI: InChI=1/C7H4Cl2F3N3O/c1-15(6(16)7(10,11)12)3-4(8)13-2-14-5(3)9/h2H,1H3
(3)InChIKey: VDXWKMMSTUOJSH-UHFFFAOYAX
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