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CAS No.: | 72630-78-5 |
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Name: | 5-CHLORO-2,4-DIFLUORO-6-METHYL-PYRIMIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H3ClF2N2 |
Molecular Weight: | 164.542 |
Synonyms: | 5-Chloro-2,4-difluoro-6-methylpyrimidine;2,4-Difluoro-5-chloro-6-methylpyrimidine;5-Chloro-2,6-difluoro-4-methylpyrimidine; |
Density: | 1.462 g/cm3 |
Melting Point: | 3 °C |
Boiling Point: | 264.9 °C at 760 mmHg |
Flash Point: | 114 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 25.78000 |
LogP: | 1.71660 |
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The Pyrimidine, 5-chloro-2, 4-difluoro-6-methyl-, with the CAS registry number 72630-78-5, is also known as 2, 4-Difluoro-5-chloro-6-methylpyrimidine. It belongs to the product categories of Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides. This chemical's molecular formula is C5H3ClF2N2 and molecular weight is 164.54. What's more, its IUPAC name is 5-Chloro-2, 4-difluoro-6-methylpyrimidine.
Physical properties about Pyrimidine, 5-chloro-2, 4-difluoro-6-methyl- are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.12; (6)ACD/BCF (pH 7.4): 5.12; (7)ACD/KOC (pH 5.5): 112.07; (8)ACD/KOC (pH 7.4): 112.07; (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: 1.483; (14)Molar Refractivity: 32.14 cm3; (15)Molar Volume: 112.5 cm3; (16)Polarizability: 12.74×10-24 cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.462 g/cm3; (19)Flash Point: 114 °C; (20)Enthalpy of Vaporization: 48.25 kJ/mol; (21)Boiling Point: 264.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0155 mmHg at 25 °C.
Preparation of Pyrimidine, 5-chloro-2, 4-difluoro-6-methyl-: this chemical is prepared by 2, 4, 5-Trichloro-6-methyl-pyrimidine. The reaction needs reagent Sodium fluoride and solvent Tetrahydrothiophene 1, 1-dioxide. The reaction time is 7 hours with reaction temperature of 200 °C. The yield is about 78 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(F)nc(F)nc1C
(2) InChI: InChI=1/C5H3ClF2N2/c1-2-3(6)4(7)10-5(8)9-2/h1H3
(3) InChIKey: RMULVUFPLMJWOK-UHFFFAOYAK