110763-09-2

110763-09-2 - Names and Identifiers

Name	5-chloro-1-methyl-1H-pyrazole-4-carbonyl chloride
Synonyms	5-CHLORO-1-METHYLPYRAZOLE-4-CARBONYL CHLORIDE 5-chloro-1-Methyl-1H-pyrazol-4-carbonyl chloride 5-chloro-1-methyl-1H-pyrazole-4-carbonyl chloride 5-CHLORO-1-METHYL-1H-PYRAZOLE-4-CARBONYL CHLORIDE 1H-Pyrazole-4-carbonyl chloride, 5-chloro-1-methyl- (9CI)
CAS	110763-09-2
InChI	InChI=1/C5H4Cl2N2O/c1-9-4(6)3(2-8-9)5(7)10/h2H,1H3

110763-09-2 - Physico-chemical Properties

Molecular Formula	C5H4Cl2N2O
Molar Mass	179
Density	1.55±0.1 g/cm3(Predicted)
Melting Point	50 °C
Boling Point	81-85 °C(Press: 0.1-0.2 Torr)
Flash Point	108.3°C
Vapor Presure	0.0163mmHg at 25°C
pKa	-1.92±0.10(Predicted)
Storage Condition	Room Temprature
Refractive Index	1.611

110763-09-2 - Risk and Safety

Hazard Symbols	C - Corrosive
Risk Codes	34 - Causes burns
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
UN IDs	3261
Hazard Note	Corrosive

110763-09-2 - Introduction

5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride, also known as chloride, is an organic compound. The following is a description of the properties, uses, preparation and safety information of this compound:

Nature:
-Appearance: 5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride is white crystal or crystalline powder.
-Molecular formula: C5H5Cl2N3O
-Molecular weight: 189.02g/mol
-melting point: 84-88 ℃
-Boiling point: 258 ℃
-Density: 1.44g/cm3
-Solubility: Soluble in organic solvents such as chloroform, ethanol and dichloromethane.

Use:
-5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride is commonly used as an intermediate in organic synthesis and can be acylated during the synthesis.
-It can be used to prepare biologically active molecules, such as drugs and pesticides.

Preparation Method:
A common preparation method is obtained by reacting 5-chloro-1-methyl-1H-pyrazole-4-carbamide with heated silicon chloride. Specific steps are as follows:
1. Under an inert atmosphere, 5-chloro-1-methyl-1H-pyrazole-4-carbamide and a drying agent are added to an organic solvent, and the mixture is stirred.
2. Slowly add silicon chloride dropwise to the reaction mixture while controlling the reaction temperature between -10 and 0°C.
3. After reacting for several hours, the reaction mixture is neutralized with water or an acidic solution.
4. the waste product is frozen and purified by crystallization to obtain the target product.

Safety Information:
-5-Chloro-1-methyl-1H-pyrazole-4-carbonyl chloride is an organic compound with certain toxicity and should be handled with care.
-During operation, appropriate protective equipment should be worn, such as laboratory gloves and protective glasses.
-In case of accidental inhalation or contact with skin and eyes, rinse immediately with plenty of water and seek medical help.
-Store in a dry, well-ventilated place away from heat and flame.

Last Update：2024-04-09 15:17:50