5-Methyl-3-Phenyl-Isoxazol-4-Carboxylicacid Chloride

Name	5-Methyl-3-phenylisoxazole-4-carbonyl chloride
Synonyms	PMIC Chloride PMIC CHLORIDE 5-methyl-3-phenyl-4-isoxazolecarbonylchlorid 5-METHYL-3-PHENYL-4-CHLOROCARBONYL ISOXAZOLE 5-Methyl-3-phenyl-4-isoxazolecarbonylchloride 5-Methyl-3-phenylisoxazole-4-carbonyl chloride 3-PHENYL-5-METHYLISOXAZOLE-4-CARBONYL CHLORIDE 5-METHYL-3-PHENYLISOXAZOLE-4-CARBONYL CHLORIDE 5-methyl-3-phenyl-1,2-oxazole-4-carbonylchloride 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride 5-Methyl-3-Phenyl-Isoxazol-4-Carboxylicacid Chloride
CAS	16883-16-2
EINECS	240-915-4
InChI	InChI=1/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3

Molecular Formula	C11H8ClNO2
Molar Mass	221.64
Density	1.27
Melting Point	24 °C
Boling Point	115-117 °C(Press: 3 Torr)
Flash Point	>100
Water Solubility	701.8mg/L at 25℃
Solubility	soluble in Methanol
Vapor Presure	0.007Pa at 25℃
Appearance	powder to lump
Color	White to Light yellow
pKa	-4.78±0.50(Predicted)
Storage Condition	Room Temprature
Sensitive	Moisture Sensitive
Refractive Index	1.562
MDL	MFCD00052205
Physical and Chemical Properties	Crystallization. Melting point 184 °c.
Use	Used as an intermediate of benzoxazole penicillin sodium

Risk Codes	R22 - Harmful if swallowed R34 - Causes burns R36 - Irritating to the eyes
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. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S26/36/37/39/45 - S20 - When using, do not eat or drink.
UN IDs	UN3261
TSCA	Yes
Hazard Note	Corrosive
Hazard Class	8
Packing Group	II

LogP	1.97 at 25℃
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
use	intermediate of penicillin sodium. Used as an intermediate of penicillin sodium
Production method	Use benzaldehyde and hydroxylamine hydrochloride to oxime under alkaline conditions to generate benzoxime, and then chlorinate with chlorine to obtain benzoxime Chloride, the latter merges with ethyl acetoacetate ring under the action of alkali to hydrolyze the ester group to obtain 5-methyl-3-phenyl-4-isoxazolic acid, finally, the product was obtained by chlorination of phosphorus pentachloride.

Last Update：2024-04-09 02:00:07

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