Name: 2,4,6-TRICHLORO-5-FLUOROPYRIMIDINE
SKU: 6693-08-9

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Basic Information

Molecular Structure:
CAS No.:	6693-08-9
Name:	2,4,6-TRICHLORO-5-FLUOROPYRIMIDINE

Formula:	C₄Cl₃FN₂
Molecular Weight:	201.415
Synonyms:	2,4,6-Trichloro-5-fluoropyrimidine;
Density:	1.737 g/cm³
Melting Point:	37-38ºC
Boiling Point:	222.454 °C at 760 mmHg
Flash Point:	88.337 °C
PSA:	25.78000
LogP:	2.57590

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Specification

The Pyrimidine, 2, 4, 6-trichloro-5-fluoro- has CAS registry number 6693-08-9. This chemical's molecular formula is C₄Cl₃FN₂ and molecular weight is 201.41. What's more, its systematic name is 2, 4, 6-Trichloro-5-fluoropyrimidine.

Physical properties about Pyrimidine, 2, 4, 6-trichloro-5-fluoro- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 29; (6)ACD/BCF (pH 7.4): 29; (7)ACD/KOC (pH 5.5): 391; (8)ACD/KOC (pH 7.4): 391; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 37.114 cm³; (15)Molar Volume: 115.943 cm³; (16)Polarizability: 14.713×10^-24 cm³; (17)Surface Tension: 51.304 dyne/cm; (18)Density: 1.737 g/cm³; (19)Flash Point: 88.337 °C; (20)Enthalpy of Vaporization: 44.024 kJ/mol; (21)Boiling Point: 222.454 °C at 760 mmHg; (22)Vapour Pressure: 0.151 mmHg at 25 °C.

Preparation of Pyrimidine, 2, 4, 6-trichloro-5-fluoro-: this chemical is prepared by Tetrafluoro-pyrimidine. The reaction needs reagent Hydrogen chloride. The reaction time is 4 hours with reaction temperature of 160 °C. The yield is about 60.8 %.

The Pyrimidine, 2, 4, 6-trichloro-5-fluoro- can be obtained by Tetrafluoro-pyrimidine.

Uses of Pyrimidine, 2, 4, 6-trichloro-5-fluoro-: it is used to produce other chemicals. For example, it is used to produce 2, 4-Dichloro-5-fluoro-pyrimidine. This reaction needs reagents Hydrogen and Triethyl amine. Meanwhile, it needs catalyst 5 % Palladium on carbon and solvent Ethyl acetate. The reaction temperature is 30 °C. The yield is about 87 %.

Pyrimidine, 2, 4, 6-trichloro-5-fluoro- can be used to produce 2, 4-Dichloro-5-fluoro-pyrimidine.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(Cl)nc(Cl)nc1Cl
(2) InChI: InChI=1/C4Cl3FN2/c5-2-1(8)3(6)10-4(7)9-2
(3) InChIKey: XXBZSPPWTVRISV-UHFFFAOYAJ