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5-Methyl-3-phenylisoxazole-4-carbonyl chloride Structure

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

Usage And Synthesis

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