3-Bromoisoxazole

Base Information

• Chemical Name: 3-Bromoisoxazole
• CAS No.: 111454-71-8
• Molecular Formula: C3H2BrNO
• Molecular Weight: 147.96
• Hs Code.: 2934999090
• European Community (EC) Number: 808-475-3
• DSSTox Substance ID: DTXSID00552852
• Wikidata: Q72445968
• Mol file: 111454-71-8.mol

Synonyms:3-BROMOISOXAZOLE;111454-71-8;3-Bromo-isoxazole;3-Bromo-1,2-oxazole;bromoisoxazole;Isoxazole,3-bromo-;Isoxazole, 3-bromo-;MFCD07778379;bromo-isoxazole;racemic bromoisoxazole;3-bromanyl-1,2-oxazole;SCHEMBL742724;3-Bromo-isoxazole, AldrichCPR;DTXSID00552852;GQMPHUXGZCDVGQ-UHFFFAOYSA-N;BCP21100;AKOS006286136;PS-5207;SB30685;AM802930;SY009266;CS-0039114;F13554;A802364;J-002579

Chemical Property of 3-Bromoisoxazole

Chemical Property:

• Vapor Pressure: 1.092mmHg at 25°C
• Melting Point: 102-106 °C
• Refractive Index: 1.508
• Boiling Point: 182.673 °C at 760 mmHg
• PKA: -5.62±0.50(Predicted)
• Flash Point: 64.279 °C
• PSA: 26.03000
• Density: 1.812 g/cm³
• LogP: 1.43710
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.93198
• Heavy Atom Count: 6
• Complexity: 50.1

Purity/Quality:

98%min ^*data from raw suppliers

3-Bromoisoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CON=C1Br