Acetamide,N-(4,6-dichloro-5-pyrimidinyl)-2,2,2-trifluoro-N-methyl- supplier

Name
N-(4,6-dichloropyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide
EINECS
CAS No. 781-28-2
Density 1.633 g/cm³
Solubility
Melting Point
Formula C₇H₄Cl₂F₃N₃O
Boiling Point 335.8 °C at 760 mmHg
Molecular Weight 274.029
Flash Point 156.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA
LogP

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

Product Name

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

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