1-[3-(2,4-Dichlorophenyl)-5-methylisoxazol-4-yl]ethan-1-one

Base Information

• Chemical Name: 1-[3-(2,4-Dichlorophenyl)-5-methylisoxazol-4-yl]ethan-1-one
• CAS No.: 169814-56-6
• Molecular Formula: C12H9 Cl2 N O2
• Molecular Weight: 270.11
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60372573
• Wikidata: Q82160359
• ChEMBL ID: CHEMBL1602346
• Mol file: 169814-56-6.mol

Synonyms:169814-56-6;1-[3-(2,4-dichlorophenyl)-5-methylisoxazol-4-yl]ethan-1-one;1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone;MLS000834035;1-(3-(2,4-Dichlorophenyl)-5-methylisoxazol-4-yl)ethanone;SMR000461554;1-[3-(2,4-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethan-1-one;HMS566K21;Maybridge1_008865;CHEMBL1602346;BDBM63892;cid_2745589;DTXSID60372573;NPCSVHWOVWPJOV-UHFFFAOYSA-N;HMS2810C08;AKOS015908635;FT-0607104;SR-01000597235;SR-01000597235-1;BRD-K81693767-001-08-5;1-[3-(2,4-dichlorophenyl)-5-methyl-4-isoxazolyl]ethanone;1-[3-(2,4-dichlorophenyl)-5-methyl-isoxazol-4-yl]ethanone;1-[3-(2,4-Dichlorophenyl)-5-methylisoxazol-4-yl]ethan-1one

Chemical Property of 1-[3-(2,4-Dichlorophenyl)-5-methylisoxazol-4-yl]ethan-1-one

Chemical Property:

• Vapor Pressure: 1.97E-06mmHg at 25°C
• Boiling Point: 394.5°Cat760mmHg
• Flash Point: 192.4°C
• PSA: 43.10000
• Density: 1.334g/cm³
• LogP: 4.15940
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 269.0010339
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

1-[3-(2,4-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL]ETHAN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=C(C=C(C=C2)Cl)Cl)C(=O)C