4-Isoxazolecarbonyl chloride, 5-(chloromethyl)-

Base Information

• Chemical Name: 4-Isoxazolecarbonyl chloride, 5-(chloromethyl)-
• CAS No.: 139442-86-7
• Molecular Formula: C₅H₃Cl₂NO₂
• Molecular Weight: 179.99
• DSSTox Substance ID: DTXSID70598843
• Wikidata: Q82494642
• Mol file: 139442-86-7.mol

Synonyms:139442-86-7;4-ISOXAZOLECARBONYL CHLORIDE, 5-(CHLOROMETHYL)-;5-(Chloromethyl)-1,2-oxazole-4-carbonyl chloride;SCHEMBL3067124;DTXSID70598843;DB-272601;5-(Chloromethyl)isoxazole-4-carbonyl chloride

Chemical Property of 4-Isoxazolecarbonyl chloride, 5-(chloromethyl)-

Chemical Property:

• PSA: 43.10000
• LogP: 1.79240
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 178.9540837
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NOC(=C1C(=O)Cl)CCl