(2E)-2-[chloro-(4-fluorophenyl)methylidene]pentanal

Base Information

• Chemical Name: (2E)-2-[chloro-(4-fluorophenyl)methylidene]pentanal
• CAS No.: 83706-47-2
• Molecular Formula: C12H12 Cl F O
• Molecular Weight: 226.6744832
• European Community (EC) Number: 280-523-0
• Nikkaji Number: J326.837C
• Mol file: 83706-47-2.mol

Synonyms:83706-47-2;C12-H12-Cl-F-O;2-[Chloro(4-fluorophenyl)methylene]pentanal

Chemical Property of (2E)-2-[chloro-(4-fluorophenyl)methylidene]pentanal

Chemical Property:

• Vapor Pressure: 0.00113mmHg at 25°C
• Boiling Point: 300.4°C at 760 mmHg
• Flash Point: 135.5°C
• PSA: 17.07000
• Density: 1.156g/cm³
• LogP: 3.77460
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.0560709
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=C(C1=CC=C(C=C1)F)Cl)C=O
• Isomeric SMILES: CCC/C(=C(/C1=CC=C(C=C1)F)\Cl)/C=O