2-[(E)-3,3,3-trichloroprop-1-enyl]quinoxaline

Base Information

• Chemical Name: 2-[(E)-3,3,3-trichloroprop-1-enyl]quinoxaline
• CAS No.: 6640-58-0
• Molecular Formula: C11H7Cl3N2
• Molecular Weight: 273.55
• NSC Number: 48969
• UNII: FB52MUX3KX
• DSSTox Substance ID: DTXSID90418054
• Wikidata: Q76304910
• Mol file: 6640-58-0.mol

Synonyms:6640-58-0;2-[(E)-3,3,3-trichloroprop-1-enyl]quinoxaline;FB52MUX3KX;UNII-FB52MUX3KX;Quinoxaline, 2-(3,3,3-trichloro-1-propen-1-yl)-;2-(3,3,3-Trichloro-1-propen-1-yl)quinoxaline;2-((E)-3,3,3-Trichloroprop-1-enyl)quinoxaline;2-(3,3,3-Trichloro-1-propen-1E-yl)quinoxaline;NSC 48969;NSC-48969;Quinoxaline, 2-(3,3,3-trichloro-1-propen-1-yl)-, (E)-;2-(3,3,3-TRICHLORO-1-PROPENYL)-QUINOXALINE;NSC48969;Quinoxaline, 2-(3,3,3-trichloro-1-propenyl)-;DTXSID90418054;AKOS015915520;A835455

Chemical Property of 2-[(E)-3,3,3-trichloroprop-1-enyl]quinoxaline

Chemical Property:

• Vapor Pressure: 6.38E-06mmHg at 25°C
• Refractive Index: 1.688
• Boiling Point: 389.5 °C at 760 mmHg
• Flash Point: 221.4 °C
• PSA: 25.78000
• Density: 1.477 g/cm³
• LogP: 4.01320
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 271.967481
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=CC(=N2)C=CC(Cl)(Cl)Cl
• Isomeric SMILES: C1=CC=C2C(=C1)N=CC(=N2)/C=C/C(Cl)(Cl)Cl