3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile

Base Information

• Chemical Name: 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile
• CAS No.: 175204-41-8
• Molecular Formula: C11H6 Cl F N2 O
• Molecular Weight: 236.633
• Hs Code.: 2934999090
• European Community (EC) Number: 671-988-4
• DSSTox Substance ID: DTXSID30371457
• Wikidata: Q82158792
• Mol file: 175204-41-8.mol

Synonyms:175204-41-8;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile;3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonitrile;4-Isoxazolecarbonitrile, 3-(2-chloro-6-fluorophenyl)-5-methyl-;Maybridge1_006142;SCHEMBL11893422;HMS558P04;DTXSID30371457;MFCD00052551;AKOS005087145;CS-0316400;FT-0613539;3C-084;J-011079;3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4carbonitrile

Chemical Property of 3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile

Chemical Property:

• Vapor Pressure: 7.01E-07mmHg at 25°C
• Melting Point: 78 °C
• Boiling Point: 370.3°Cat760mmHg
• Flash Point: 177.7°C
• PSA: 49.82000
• Density: 1.41g/cm³
• LogP: 3.31418
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 236.0152687
• Heavy Atom Count: 16
• Complexity: 306

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C#N