1,2-dichloro-4-[(E)-2-nitrobut-1-enyl]benzene

Base Information

• Chemical Name: 1,2-dichloro-4-[(E)-2-nitrobut-1-enyl]benzene
• CAS No.: 15873-39-9
• Molecular Formula: C10H9 Cl2 N O2
• Molecular Weight: 246.09
• NSC Number: 23477
• DSSTox Substance ID: DTXSID70417883
• Wikidata: Q82228105
• ChEMBL ID: CHEMBL1976830
• Mol file: 15873-39-9.mol

Synonyms:NSC23477;15873-39-9;CHEMBL1976830;DTXSID70417883;NSC-23477

Chemical Property of 1,2-dichloro-4-[(E)-2-nitrobut-1-enyl]benzene

Chemical Property:

• Vapor Pressure: 5.94E-05mmHg at 25°C
• Boiling Point: 356.6°Cat760mmHg
• Flash Point: 169.5°C
• Density: 1.341g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 245.0010339
• Heavy Atom Count: 15
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=CC1=CC(=C(C=C1)Cl)Cl)[N+](=O)[O-]
• Isomeric SMILES: CC/C(=C\C1=CC(=C(C=C1)Cl)Cl)/[N+](=O)[O-]