- 2,4,6-Trichloropyrimidine
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- $10.00 / 1KG
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2025-09-25
- CAS:3764-01-0
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
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| | 2,4,6-Trichloropyrimidine Basic information |
| Product Name: | 2,4,6-Trichloropyrimidine | | Synonyms: | 2,4,6-trichloro-pyrimidin;AURORA KA-4834;2,4,6-TRICHLOROPYRIMIDINE;TCPY;Pyrimidine, 2,4,6-trichloro-;2,4,6-TRICHLOROPYRIDINE;2,3-DIHYDROIMIDAZO 2,1-BBENZO;2,4,6-Trichloropyrimidine, 98.5% | | CAS: | 3764-01-0 | | MF: | C4HCl3N2 | | MW: | 183.42 | | EINECS: | 223-183-0 | | Product Categories: | Heterocycle-Pyrimidine series;Aromatics;Heterocycles;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrimidines;PyrimidinesHeterocyclic Building Blocks;Pyridines, Pyrimidines, Purines and Pteredines;Organics;pharmacetical;Pyridine;Pyrimidine | | Mol File: | 3764-01-0.mol |  |
| | 2,4,6-Trichloropyrimidine Chemical Properties |
| Melting point | 23-25 °C (lit.) | | Boiling point | 210-215 °C (lit.) | | density | 1.595 g/mL at 20 °C (lit.) | | refractive index | n20/D 1.57(lit.) | | Fp | >230 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | Chloroform, Ethyl Acetate | | pka | -7.14±0.30(Predicted) | | form | Liquid After Melting | | color | Clear colorless to yellow | | Water Solubility | Insoluble in water. | | FreezingPoint | 21.0 to 23.0 ℃ | | BRN | 118284 | | InChI | 1S/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1H | | InChIKey | DPVIABCMTHHTGB-UHFFFAOYSA-N | | SMILES | Clc1cc(Cl)nc(Cl)n1 | | CAS DataBase Reference | 3764-01-0(CAS DataBase Reference) | | NIST Chemistry Reference | Pyrimidine, 2,4,6-trichloro-(3764-01-0) | | EPA Substance Registry System | Pyrimidine, 2,4,6-trichloro- (3764-01-0) |
| Hazard Codes | Xn,Xi,T | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-36-24/25-23 | | RIDADR | UN1759 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29335990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,4,6-Trichloropyrimidine Usage And Synthesis |
| Chemical Properties | clear colorless to yellowish liquid after melting | | Uses | Fungitoxic substance. | | Uses | It is applied In selective Suzuki coupling with arylboronic acids has been reported to give 6-arylpyrimidines. | | Synthesis Reference(s) | Journal of the American Chemical Society, 80, p. 5481, 1958 DOI: 10.1021/ja01553a042 | | Synthesis | Example 2: 128.1 g (1 mol) of barbituric acid and 500 ml (5.5 mol) of phosphorus trichloride were sequentially added to a reaction flask, heated to reflux and maintained for 4 hours. Subsequently, 270 ml (3.1 mol) of phosphorus trichloride and 213 g (3 mol) of chlorine were slowly added dropwise to the reaction system, and the reaction solution was kept as a light yellow suspension during the treatment. The amount of chlorine gas should be strictly controlled during the titration process to avoid overdose, and the specific operation was referred to Example 1. After the titration was completed, the reaction was continued to reflux for 1 hour. After completion of the reaction, phosphorus trichloride is removed by distillation. Finally, 2,4,6-trichloropyrimidine was obtained by distillation under pump vacuum according to the method described in Example 1. The yield of the product was 148 g, the yield was 81% of the theoretical value (in terms of barbituric acid), and the absence of 2,4,5,6-tetrachloropyrimidine in the product was confirmed by GC assay. | | Toxics Screening Level | The initial threshold screening level (ITSL) for 2,4,6-trichloropyrimidine is 0.1 μg/m3 based on an annual averaging time. | | References | [1] Journal of the American Chemical Society, 1980, vol. 102, # 15, p. 5036 - 5044
[2] Patent: US5898073, 1999, A
[3] Patent: US5712394, 1998, A
[4] Polyhedron, 2014, vol. 81, p. 316 - 322
[5] European Journal of Medicinal Chemistry, 2012, vol. 54, p. 159 - 174 |
| | 2,4,6-Trichloropyrimidine Preparation Products And Raw materials |
| Raw materials | Barbituric acid-->trichlorophosphate-->Chlorine | | Preparation Products | 4,6-DIMETHOXYPYRIMIDINE-2-SULFONYL CHLORIDE-->2,4-DIAMINO-6-FLUOROPYRIMIDINE-->2-ISOTHIOCYANATO-4,6-DIMETHOXYPYRIMIDINE-->4-AMINO-2,6-DIFLUOROPYRIMIDINE-->2-AMINO-4,6-DIFLUOROPYRIMIDINE-->6-Chlorouracil-->2,4,6-TRIMETHOXYPYRIMIDINE-->4-CHLORO-2,6-DIPHENYLPYRIMIDINE-->4-(4,6-Dichloropyrimidin-2-yl)morpholine-->4-tert-butyl-2,6-dichloropyriMidine-->4-Benzyl-2,6-dichloropyrimidine |
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