Agent orange

Base Information

• Chemical Name: Agent orange
• CAS No.: 39277-47-9
• Molecular Formula: C12H14Cl2O3•C12H13Cl3O3
• Molecular Weight: 588.76
• UNII: KQW750JQE5
• DSSTox Substance ID: DTXSID70895783
• Wikipedia: Agent_Orange
• Wikidata: Q215946
• NCI Thesaurus Code: C33901
• Mol file: 39277-47-9.mol

Synonyms:(2,4-dichlorophenoxy)acetic acid, butyl ester, mixt. with butyl (2,4,5-trichlorophenoxy)acetate;2,4-D - 2,4,5-T mixture;Agent Orange;Orange, Agent

Chemical Property of Agent orange

Chemical Property:

• Vapor Pressure: 9.97E-06mmHg at 25°C
• Refractive Index: 1.5550 (estimate)
• Boiling Point: 371.9°Cat760mmHg
• Flash Point: 142.2°C
• PSA: 71.06000
• Density: g/cm³
• LogP: 8.08440
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 14
• Exact Mass: 588.022077
• Heavy Atom Count: 35
• Complexity: 499

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl.CCCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl