5-Methyl-3-phenylisoxazole-4-carbonyl chloride Chemical Properties

Melting point:

24 °C

Boiling point:

115-117 °C(Press: 3 Torr)

Density 

1.27

vapor pressure 

0.007Pa at 25℃

Flash point:

>100

solubility 

soluble in Methanol

form 

powder to lump

pka

-4.78±0.50(Predicted)

color 

White to Light yellow

Water Solubility 

701.8mg/L at 25℃

Sensitive 

Moisture Sensitive

InChI

InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

HXEVQMXCHCDPSO-UHFFFAOYSA-N

SMILES

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

LogP

1.97 at 25℃

CAS DataBase Reference

16883-16-2(CAS DataBase Reference)

EPA Substance Registry System

4-Isoxazolecarbonyl chloride, 5-methyl-3-phenyl- (16883-16-2)

Safety Information

Hazard Codes 

C,Xi

Risk Statements 

22-34-36

Safety Statements 

26-36/37/39-45-26/36/37/39/45-20

RIDADR 

UN3261

Hazard Note 

Corrosive

TSCA 

Yes

HazardClass 

8

PackingGroup 

II

HS Code 

2934999090

MSDS

• Language:English Provider:ALFA

5-Methyl-3-phenylisoxazole-4-carbonyl chloride Usage And Synthesis

Uses

Used as Intermediate of oxacillin sodium.

Flammability and Explosibility

Not classified

Synthesis

Benzaldehyde and hydroxylamine hydrochloride are oximeated under alkaline conditions to generate benzoxime, which is then chlorinated with chlorine to give benzoxime chloride. It is combined with ethyl acetoacetate to hydrolyze and chlorinated to obtain 5-Methyl-3-phenylisoxazole-4-carbonyl chloride.

5-Methyl-3-phenylisoxazole-4-carbonyl chloride(16883-16-2)Related Product Information

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