3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole

Base Information

• Chemical Name: 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole
• CAS No.: 175205-42-2
• Molecular Formula: C8H8 Cl N3 O2
• Molecular Weight: 213.62
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90370926
• Wikidata: Q82158114
• Mol file: 175205-42-2.mol

Synonyms:3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole;175205-42-2;3-(chloromethyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole;SCHEMBL512933;DTXSID90370926;MFCD00052098;AKOS015912163;BP-10316;PS-11318;FT-0613732;C80081;A811941;3-Chloromethyl-5-(3,5-dimethylisoxazol-4-yl)-1,2,4oxadiazole;3-(chloromethyl)-5-(3,5-dimethyl-4-isoxazolyl)-1,2,4-oxadiazole;3-chloromethyl-5-(3,5-dimethyl-isoxazol-4-yl)-1,2,4-oxadiazole;3-Chloromethyl-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole

Chemical Property of 3-(Chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole

Chemical Property:

• Vapor Pressure: 1.85E-05mmHg at 25°C
• Melting Point: 88 °C
• Boiling Point: 374°Cat760mmHg
• PKA: -3.35±0.28(Predicted)
• Flash Point: 180°C
• PSA: 64.95000
• Density: 1.333g/cm³
• LogP: 2.08020
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 213.0305042
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

3-(chloromethyl)-5-(3,5-dimethylisoxazol-4-yl)-1,2,4-oxadiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C)C2=NC(=NO2)CCl