Bromoxynil octanoate

Base Information

• Chemical Name: Bromoxynil octanoate
• CAS No.: 1689-99-2
• Deprecated CAS: 33964-24-8,86702-80-9,86702-80-9
• Molecular Formula: C15H17Br2NO2
• Molecular Weight: 403.113
• Hs Code.: 2926909032
• European Community (EC) Number: 216-885-3
• UN Number: 2588
• UNII: 9HL5XAW9SK
• DSSTox Substance ID: DTXSID7023932
• Nikkaji Number: J7.559K
• Wikidata: Q22133404
• ChEMBL ID: CHEMBL1903970
• Mol file: 1689-99-2.mol

Synonyms:bromoxynil octanoate

Chemical Property of Bromoxynil octanoate

Chemical Property:

• Vapor Pressure: 2.04E-07mmHg at 25°C
• Melting Point: 45-46 °C
• Refractive Index: 1.572
• Boiling Point: 424.6 °C at 760 mmHg
• Flash Point: 210.6 °C
• PSA: 50.09000
• Density: 1.54 g/cm³
• LogP: 5.34918
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 30μg/L at 20℃
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 402.96055
• Heavy Atom Count: 20
• Complexity: 341
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

BromoxynilOctanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, N
• Hazard Codes: T;N,N,T
• Statements: 22-23-43-50/53-63
• Safety Statements: 36/37-45-60-61-63

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Other
• Canonical SMILES: CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br
• Uses: Herbicide. Selective contact foliage-applied herbicide used to control many broad-leaved weeds such as bindweed, chickweed and Veronica spp. in cereals.

Technology Process of Bromoxynil octanoate

There total 8 articles about Bromoxynil octanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.5%

Bromoxynil (1689-84-5) + benzyltri(n-butyl)ammonium chloride (23616-79-7) + n-octanoic acid chloride (111-64-8) → bromoxynil octanoate (1689-99-2,86702-80-9)

Guidance literature:

With sodium hydroxide; sodium chloride; In water; toluene;

Reference yield:

3,5-dibromo-4-hydroxybenzonitrole + benzyltri(n-butyl)ammonium chloride (23616-79-7) + n-octanoic acid chloride (111-64-8) → bromoxynil octanoate (1689-99-2,86702-80-9)

Guidance literature:

With sodium hydroxide; calcium chloride; In 5,5-dimethyl-1,3-cyclohexadiene; water;

Reference yield:

calcium bromide monohydrate + 4-cyanophenol (767-00-0) + n-octanoic acid chloride (111-64-8) → bromoxynil octanoate (1689-99-2,86702-80-9)

Guidance literature:

With sodium hydroxide; In water; toluene;

upstream raw materials:

Bromoxynil

n-octanoic acid chloride

4-cyanophenol

benzyltri(n-butyl)ammonium chloride

Refernces

• 1、 -. "Process for producing esters of 3,5-dibromo-4-hydroxybenzonitrile". . . Retrieved 2008/06/13.