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878760-47-5

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Basic Information
CAS No.: 878760-47-5
Name: 4-DIMETHOXYMETHYL-2-TRIFLUOROMETHYL-PYRIMIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 878760-47-5 (4-DIMETHOXYMETHYL-2-TRIFLUOROMETHYL-PYRIMIDINE)
Formula: C8H9F3N2O2
Molecular Weight: 222.167
Synonyms: 4-Dimethoxymethyl-2-trifluoromethylpyrimidine;
Density: 1.29 g/cm3
Boiling Point: 163.8 °C at 760 mmHg
Flash Point: 52.9 °C
Hazard Symbols: IrritantXi
PSA: 44.24000
LogP: 1.78680
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Specification

The Pyrimidine,4-(dimethoxymethyl)-2-(trifluoromethyl)-, also known as ZINC02546979, is the organic compound with the formula C8H9F3N2O2. With the CAS registry number 878760-47-5, its IUPAC name is 4-(dimethoxymethyl)-2-(trifluoromethyl)pyrimidine. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Pyrimidine,4-(dimethoxymethyl)-2-(trifluoromethyl)-: (1)ACD/LogP: 0.73; (2)ACD/LogD (pH 5.5): 0.73; (3)ACD/LogD (pH 7.4): 0.73; (4)ACD/BCF (pH 5.5): 2.12; (5)ACD/BCF (pH 7.4): 2.12; (6)ACD/KOC (pH 5.5): 59.57; (7)ACD/KOC (pH 7.4): 59.57; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.436; (11)Molar Refractivity: 45.09 cm3; (12)Molar Volume: 172.1 cm3; (13)Surface Tension: 31.2 dyne/cm; (14)Density: 1.29 g/cm3; (15)Flash Point: 52.9 °C; (16)Enthalpy of Vaporization: 38.39 kJ/mol; (17)Boiling Point: 163.8 °C at 760 mmHg; (18)Vapour Pressure: 2.66 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(C1=NC(=NC=C1)C(F)(F)F)OC
(2)InChI: InChI=1S/C8H9F3N2O2/c1-14-6(15-2)5-3-4-12-7(13-5)8(9,10)11/h3-4,6H,1-2H3
(3)InChIKey: CHSZUWDVGYPDPG-UHFFFAOYSA-N