| Identification | More | [Name]
2,4,6-Trichloropyrimidine | [CAS]
3764-01-0 | [Synonyms]
2,4,6-TRICHLOROPYRIMIDINE
AURORA KA-4834
TCPY
2,4,6-trichloro-pyrimidin
Pyrimidine, 2,4,6-trichloro-
2,4,6-TRICHLOROPYRIDINE
2,4,6-Trichloropyrimidine ,99% | [EINECS(EC#)]
223-183-0 | [Molecular Formula]
C4HCl3N2 | [MDL Number]
MFCD00006063 | [Molecular Weight]
183.42 | [MOL File]
3764-01-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to yellowish liquid after melting | [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 | [form ]
Liquid After Melting | [pka]
-7.14±0.30(Predicted) | [color ]
Clear colorless to yellow | [Water Solubility ]
Insoluble in water. | [FreezingPoint ]
21.0 to 23.0 ℃ | [Detection Methods]
GC | [BRN ]
118284 | [InChIKey]
DPVIABCMTHHTGB-UHFFFAOYSA-N | [CAS DataBase Reference]
3764-01-0(CAS DataBase Reference) | [NIST Chemistry Reference]
Pyrimidine, 2,4,6-trichloro-(3764-01-0) | [EPA Substance Registry System]
3764-01-0(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi,T | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . | [RIDADR ]
UN1759 | [WGK Germany ]
3
| [TSCA ]
T | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29335900 |
| Raw materials And Preparation Products | Back Directory | [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 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to yellowish liquid after melting | [Uses]
Fungitoxic substance. | [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 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,4,6-Trichloropyrimidine(3764-01-0)MS
2,4,6-Trichloropyrimidine(3764-01-0)1HNMR
2,4,6-Trichloropyrimidine(3764-01-0)13CNMR
2,4,6-Trichloropyrimidine(3764-01-0)IR1
2,4,6-Trichloropyrimidine(3764-01-0)IR2
2,4,6-Trichloropyrimidine(3764-01-0)Raman
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