3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride
• CAS No.: 465514-03-8
• Molecular Formula: C12H10ClNO3
• Molecular Weight: 251.67
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20381540
• Wikidata: Q82172427
• Mol file: 465514-03-8.mol

Synonyms:465514-03-8;3-(4-methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride;3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride;3-(4-methoxyphenyl)-5-methylisoxazole-4-carbonyl chloride;SCHEMBL2723582;DTXSID20381540;MFCD03407359;BP-10309;BS-28540;FT-0613687;A924244;3-(4-methoxyphenyl)-5-methylisoxazole-4-carbonylchloride;3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride;3-(4-methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride, AldrichCPR

Chemical Property of 3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarbonyl chloride

Chemical Property:

• Vapor Pressure: 8.54E-07mmHg at 25°C
• Melting Point: 79℃
• Boiling Point: 405.8°C at 760 mmHg
• PKA: -4.69±0.50(Predicted)
• Flash Point: 199.2°C
• PSA: 52.33000
• Density: 1.274g/cm³
• LogP: 3.03760
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 251.0349209
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

98%Min ^*data from raw suppliers

3-(4-Methoxyphenyl)-5-methylisoxazole-4-carbonylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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