ChemicalBook--->CAS DataBase List--->16883-16-2

16883-16-2

16883-16-2 Structure

16883-16-2 Structure
IdentificationMore
[Name]

5-Methyl-3-phenylisoxazole-4-carbonyl chloride
[CAS]

16883-16-2
[Synonyms]

3-PHENYL-5-METHYLISOXAZOLE-4-CARBONYL CHLORIDE
5-METHYL-3-PHENYL-4-CHLOROCARBONYL ISOXAZOLE
5-METHYL-3-PHENYLISOXAZOLE-4-CARBONYL CHLORIDE
BUTTPARK 43\57-11
PMIC CHLORIDE
5-methyl-3-phenyl-1,2-oxazole-4-carbonylchloride
5-methyl-3-phenyl-4-isoxazolecarbonylchlorid
5-Methyl-3-phenyl-4-isoxazolecarbonylchloride
5-Methyl-3-Phenyl-Isoxazol-4-Carboxylicacid Chloride
5-Methyl-3-Phenylisoxazole-4-C
5-METHYL-3-PHENYL-4-CHLOROCARBONYLICISOXAZOLE ACID
5-Methyl-3-phenylisoxazole-4-carboxylic acid chloride
[EINECS(EC#)]

240-915-4
[Molecular Formula]

C11H8ClNO2
[MDL Number]

MFCD00052205
[Molecular Weight]

221.64
[MOL File]

16883-16-2.mol
Chemical PropertiesBack Directory
[Melting point ]

24 °C
[Boiling point ]

115-117 °C(Press: 3 Torr)
[density ]

1.27
[vapor pressure ]

0.007Pa at 25℃
[Fp ]

>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]

16883-16-2(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H318
[Precautionary statements ]

P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
[Hazard Codes ]

C
[Risk Statements ]

R22:Harmful if swallowed.
R34:Causes burns.
[Safety Statements ]

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 label where possible) .
S20:When using, do not eat or drink .
[RIDADR ]

UN3261
[Hazard Note ]

Corrosive
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

II
[HS Code ]

2934999090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydroxylamine hydrochloride-->Phosphorus pentachloride-->5-Methyl-3-phenylisoxazole-4-carboxylic acid
[Preparation Products]

(5-METHYL-3-PHENYLISOXAZOL-4-YL)-N-PROP-2-YNYLFORMAMIDE
Hazard InformationBack Directory
[Chemical Properties]

Crystallizes. Melting point 184°C.
[Uses]

Used as Intermediate of oxacillin sodium.
[Flammability and Explosibility]

Notclassified
[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.
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-methyl-3-phenylisoxazole-4-carbonyl chloride(16883-16-2)
[Alfa Aesar]

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