Bromoxynil heptanoate

Base Information

• Chemical Name: Bromoxynil heptanoate
• CAS No.: 56634-95-8
• Molecular Formula: C14H15Br2NO2
• Molecular Weight: 389.08
• European Community (EC) Number: 260-300-4
• UNII: EK18N93FQB
• DSSTox Substance ID: DTXSID8032592
• Nikkaji Number: J267.065H
• Wikidata: Q27889458
• Mol file: 56634-95-8.mol

Synonyms:Bromoxynil heptanoate;BROMOXYNIL-HEPTANOATE;56634-95-8;2,6-Dibromo-4-cyanophenyl heptanoate;(2,6-dibromo-4-cyanophenyl) heptanoate;Buctril 4;Bromoxynil heptanoate [ISO];UNII-EK18N93FQB;EK18N93FQB;Heptanoic acid, 2,6-dibromo-4-cyanophenyl ester;EINECS 260-300-4;EPA Pesticide Chemical Code 128920;ACIDYELLOW38;starbld0009538;C14H15Br2NO2;SCHEMBL3300282;DTXSID8032592;C14-H15-Br2-N-O2;FT-0770341;Bromoxynil-heptanoate 100 microg/mL in Acetonitrile;Q27889458

Chemical Property of Bromoxynil heptanoate

Chemical Property:

• Vapor Pressure: 5.46E-07mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 411.7 °C at 760 mmHg
• Flash Point: 202.8 °C
• PSA: 50.09000
• Density: 1.59 g/cm³
• LogP: 4.95908
• Storage Temp.: APPROX 4°C
• Water Solubility.: 160μg/L at 20℃
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 388.94490
• Heavy Atom Count: 19
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

BROMOXYNIL-HEPTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N,F
• Hazard Codes: Xn,N,F
• Statements: 20/22-43-63-50/53-67-65-38-11
• Safety Statements: 36/37-46-60-61-62-33-29-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br