3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride Chemical Properties

Melting point:

41-42°C

Boiling point:

381.7±42.0 °C(Predicted)

Density 

1.381±0.06 g/cm3(Predicted)

vapor pressure 

0.001Pa at 25℃

pka

-5.80±0.50(Predicted)

form 

crystalline solid

color 

White to off-white

Water Solubility 

128.2mg/L at 25℃

Sensitive 

Moisture Sensitive

BRN 

791931

InChI

InChI=1S/C11H7Cl2NO2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3

InChIKey

BPDBLWKFVXHGFT-UHFFFAOYSA-N

SMILES

C(Cl)(C1=C(C)ON=C1C1=CC=CC=C1Cl)=O

LogP

2.61 at 25℃

CAS DataBase Reference

25629-50-9(CAS DataBase Reference)

EPA Substance Registry System

4-Isoxazolecarbonyl chloride, 3-(2-chlorophenyl)-5-methyl- (25629-50-9)

Safety Information

Risk Statements 

34

Safety Statements 

26-36/37/39-45-36/45

RIDADR 

3261

TSCA 

Yes

HazardClass 

8

PackingGroup 

II

HS Code 

2934999090

MSDS

• Language:English Provider:3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
• Language:English Provider:ALFA

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride Usage And Synthesis

Chemical Properties

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride is Cream solid

Uses

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride is used for preparing isoxazolyl penicillin derivatives.

Flammability and Explosibility

Not classified

Synthesis

To the solution was dropwise added under cooling at -12° to -14°C a solution of 3-(2-chlorophenyl)-5-methylisoxazol-4-carbonyl chloride, which was prepared from 3-(2-chlorophenyl)-5-methylisoxazol-4-carboxylic acid (1.78 g.) and thionyl chloride (10 ml.), in methylene chloride and then stirred for 5 hours. After the reaction, to the solution was added ice-water, and the resulant mixture was washed with water, dilute phosphoric acid, an aqueous solution of sodium bicarbonate and water in turn, and dried over magnesium sulfate.

3-(2-Chlorophenyl)-5-methylisoxazole-4-carbonyl chloride(25629-50-9)Related Product Information

• CARBONYL SULFIDE
• p-Toluoyl chloride
• Methacryloyl chloride
• Kresoxim-methyl
• Chlorodimethylphenylsilane
• Methyl salicylate
• Choline chloride
• METSULFURON METHYL
• Thiophanate-methyl
• Bensulfuron methyl
• Sulfamethoxazole
• Potassium chloride
• Ammonium chloride
• Chloromethanesulfonyl chloride
• Sodium chloride
• Calcium chloride
• PYRAZOPHOS
• Methyl