3-(Chloromethyl)-4-[(3-methylphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one

Base Information

• Chemical Name: 3-(Chloromethyl)-4-[(3-methylphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one
• CAS No.: 1142199-42-5
• Molecular Formula: C12H10ClNO2
• Molecular Weight: 235.6663
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID201165134
• Mol file: 1142199-42-5.mol

Synonyms:1142199-42-5;3-(chloromethyl)-4-[(3-methylphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one;DTXSID201165134;5(4H)-Isoxazolone, 3-(chloromethyl)-4-[(3-methylphenyl)methylene]-

Chemical Property of 3-(Chloromethyl)-4-[(3-methylphenyl)methylidene]-4,5-dihydro-1,2-oxazol-5-one

Chemical Property:

• Boiling Point: 341.4±52.0 °C(Predicted)
• PSA: 38.66000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 1.96560
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.0400063
• Heavy Atom Count: 16
• Complexity: 349

Purity/Quality:

98%min ^*data from raw suppliers

(4E)-3-(Chloromethyl)-4-(3-methylbenzylidene)-isoxazol-5(4H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C=C2C(=NOC2=O)CCl