2-Bromo-1-(3-(2,4-dichlorophenyl)isoxazol-5-yl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(3-(2,4-dichlorophenyl)isoxazol-5-yl)ethanone
• CAS No.: 175334-69-7
• Molecular Formula: C11H6BrCl2NO2
• Molecular Weight: 334.98
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10384085
• Wikidata: Q82176007
• Mol file: 175334-69-7.mol

Synonyms:175334-69-7;2-Bromo-1-(3-(2,4-dichlorophenyl)isoxazol-5-yl)ethanone;2-Bromo-1-[3-(2,4-Dichlorophenyl)Isoxazol-5-Yl]Ethan-1-One;2-bromo-1-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone;5-(bromoacetyl)-3-(2,4-dichlorophenyl)isoxazole;2-Bromo-1-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl];2-Bromo-1-[3-(2,4-dichlorophenyl)isoxazol-5-yl]ethanone;2-Bromo-1-(3-(2,4-dichlorophenyl)isoxazol-5-yl)ethan-1-one;2-Bromo-1-[3-(2,4-dichlorophenyl)-isoxazol-5-yl]ethanone;2-bromo-1-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]ethan-1-one;C11H6BrCl2NO2;SCHEMBL2097742;DTXSID10384085;WYJZTLHKOJBVSA-UHFFFAOYSA-N;MFCD00173932;AKOS015899523;AS-40037;CS-0318416;FT-0611369;A911730;2-Bromo-1-[3-(2-,4-dichlorophenyl)isoxazol-5-yl]ethan-1-one

Chemical Property of 2-Bromo-1-(3-(2,4-dichlorophenyl)isoxazol-5-yl)ethanone

Chemical Property:

• Vapor Pressure: 3.48E-08mmHg at 25°C
• Melting Point: 85 °C
• Refractive Index: 1.606
• Boiling Point: 447 °C at 760 mmHg
• PKA: -6.42±0.50(Predicted)
• Flash Point: 224.1 °C
• PSA: 43.10000
• Density: 1.68 g/cm³
• LogP: 4.22600
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 332.89590
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-1-[3-(2,4-dichlorophenyl)-isoxazol-5-yl]ethanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NOC(=C2)C(=O)CBr