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CAS No.: | 26650-75-9 |
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Name: | 2,4-DICHLORO-6-N-PROPOXY-1,3,5-TRIAZINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H7Cl2N3O |
Molecular Weight: | 208.047 |
Synonyms: | s-Triazine, 2,4-dichloro-6-propoxy- (6CI,8CI);2,4-Dichloro-6-propoxy-1,3,5-triazine;2-Propoxy-4,6-dichloro-1,3,5-triazine;2-Propoxy-4,6-dichloro-s-triazine; |
EINECS: | 247-875-7 |
Density: | 1.386 g/cm3 |
Boiling Point: | 348.1 °C at 760 mmHg |
Flash Point: | 164.3 °C |
Hazard Symbols: | R34:Causes burns.; |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
Transport Information: | 3265 |
PSA: | 47.90000 |
LogP: | 1.96720 |
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This chemical is called 1,3,5-Triazine, 2,4-dichloro-6-propoxy-, and its systematic name is 2,4-Dichloro-6-propoxy-1,3,5-triazine. With the molecular formula of C6H7Cl2N3O, its molecular weight is 208.05. The CAS registry number of this chemical is 26650-75-9. In addition, this chemical should be sealed in the cool and dry plcace, away from oxides.
Other characteristics of the 1,3,5-Triazine, 2,4-dichloro-6-propoxy- can be summarised as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 47.1; (6)ACD/BCF (pH 7.4): 47.1; (7)ACD/KOC (pH 5.5): 548.48; (8)ACD/KOC (pH 7.4): 548.48; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.9 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 46.26 cm3; (15)Molar Volume: 150 cm3; (16)Polarizability: 18.33×10-24cm3; (17)Surface Tension: 49.3 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 164.3 °C; (20)Enthalpy of Vaporization: 56.9 kJ/mol; (21)Boiling Point: 348.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000104 mmHg at 25°C.
Production method of this chemical: The 1,3,5-Triazine, 2,4-dichloro-6-propoxy- could be obtained by the reactants of 2,4,6-trichloro-[1,3,5]triazine and propan-1-ol. This reaction needs the reagent of dimethylacηmide, and the solvent of CH2Cl2. The yield is 75.2 %. In addition, this reaction should be taken for 6 hours at the temperature of 35 °C.
Uses of this chemical: The 1,3,5-Triazine, 2,4-dichloro-6-propoxy- could react with N-[3-(3-fluoro-4-πperazin-1-yl-phenyl)-2-oxo-oxazolidin-5-ylmethyl]-acηmide; hydrochloride, and obtain the N-(3-{4-[4-(4-chloro-6-propoxy-[1,3,5]triazin-2-yl)-πperazin-1-yl]-3-fluoro-phenyl}-2-oxo-oxazolidin-5-ylmethyl)-acηmide. This reaction needs the reagent of Et3N, and the solvent of dimethylformamide. The yield is 20 %.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1nc(OCCC)nc(Cl)n1
2.InChI: InChI=1/C6H7Cl2N3O/c1-2-3-12-6-10-4(7)9-5(8)11-6/h2-3H2,1H3
3.InChIKey: SVHHRUHQFRFOIQ-UHFFFAOYAF