4,5,6-Trichloropyrimidine

Application

Product Name: 4,5,6-Trichloropyrimidine
CAS No.: 1780-27-4
Chemical Name: 4,5,6-Trichloropyrimidine
Synonyms: 4,5,6-TRICHLOROPYRIMIDINE;4,5,6-ThichloropyriMidine;4,5,6-Trichloro-1,3-diazine;Pyrimidine, 4,5,6-trichloro-
CBNumber: CB5224481
Molecular Formula: C4HCl3N2
Formula Weight: 183.42
MOL File: 1780-27-4.mol

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4,5,6-Trichloropyrimidine Property

Melting point:: 53 °C
Boiling point:: 87 °C / 12mmHg
Density: 1.641±0.06 g/cm3(Predicted)
storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Methanol
form: powder to crystal
pka: -5.72±0.26(Predicted)
color: White to Brown
InChI: InChI=1S/C4HCl3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKey: AUWPHGWEYHEAIG-UHFFFAOYSA-N
SMILES: C1=NC(Cl)=C(Cl)C(Cl)=N1
CAS DataBase Reference: 1780-27-4(CAS DataBase Reference)

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Safety

Hazard Codes: Xi
HS Code: 2933599590

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TCI Chemical

Product number: T2550
Product name: 4,5,6-Trichloropyrimidine
Purity: >98.0%(GC)
Packaging: 1g
Price: $98
Updated: 2025/07/31

Apolloscientific

Product number: OR15924
Product name: 4,5,6-Trichloropyrimidine
Packaging: 1g
Price: $56
Updated: 2021/12/16

SynQuest Laboratories

Product number: 3H32-5-56
Product name: 4,5,6-Trichloropyrimidine
Purity: 97%
Packaging: 1g
Price: $61
Updated: 2021/12/16

Matrix Scientific

Product number: 072747
Product name: 4,5,6-Trichloropyrimidine
Purity: 95+%
Packaging: 1g
Price: $247
Updated: 2021/12/16

Chem-Impex

Product number: 44851
Product name: 4,5,6-Trichloropyrimidine,≥98%(GC)
Purity: ≥98%(GC)
Packaging: 25G
Price: $265.5
Updated: 2021/12/16

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4,5,6-Trichloropyrimidine Chemical Properties,Usage,Production

Application

4,5,6-Trichloropyrimidine is a pale yellow to white crystalline powder, mainly used as a pharmaceutical intermediate.

Synthesis

1193-24-4

1780-27-4

The general procedure for the synthesis of 4,5,6-trichloropyrimidine from 4,6-dihydroxypyrimidine was as follows: 89.7 g of 4,6-dihydroxypyrimidine and 179.3 g of chlorobenzene were added to a 1000 mL four-neck flask. The mixture was heated to 40 °C, and then 129.6 g of sulfonyl chloride was slowly added dropwise over a period of 1 hour. After the dropwise addition was completed, the reaction mixture was kept stirred at 40 °C for 6 hours. Subsequently, 269.9 g of phosphoryl chloride was added to the reaction mixture at the same temperature. Next, 178.1 g of triethylamine was slowly added dropwise over a period of 2 hours at temperatures ranging from 40 to 80 °C. After completion of the dropwise addition, the reaction mixture was warmed up to 83 °C and kept for 10 hours. Upon completion of the reaction, the mixture was cooled to room temperature. To another 100 mL four-necked flask was added 269.0 g of water and heated to 40 °C. The above reaction mixture was slowly added dropwise to the water over a period of 30 minutes, keeping the internal temperature between 30 and 50 °C during the dropwise addition. Upon completion of the reaction, the mixture was filtered using Radiolite (registered trademark) to separate the organic and aqueous layers. The aqueous layer was extracted with 44.8 g of chlorobenzene and the organic layers were combined. The combined organic layers were washed with 44.8 g of water and subsequently concentrated under reduced pressure to give 169.2 g of black oil. The oily substance was analyzed by high performance liquid chromatography (HPLC) with internal standard method and it was determined that the oily substance contained 126.9 g of 4,5,6-trichloropyrimidine in 86% yield.

References

[1] Patent: EP2128141, 2009, A1. Location in patent: Page/Page column 7

4,5,6-Trichloropyrimidine Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4,5,6-Trichloropyrimidine manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: 4,5,6-Trichloropyrimidine 1780-27-4
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20T
Release date: 2020-05-14

Career Henan Chemical Co

Product: 4,5,6-Trichloropyrimidine 1780-27-4
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100KG
Release date: 2019-12-25

1780-27-4, 4,5,6-TrichloropyrimidineRelated Search:

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1780-27-4

1780-24-7

Heterocycle-Pyrimidine series