Bromoxynil octanoate CAS 1689-99-2

Introduction:Basic information about Bromoxynil octanoate CAS 1689-99-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Bromoxynil octanoate Basic information

Product Name:Bromoxynil octanoate
Synonyms:2,6-DIBROMO-4-CYANOPHENYL OCTANOATE;3,5-DIBROMO-4-OCTANOYLOXYBENZO-NITRILE;3,5-Dibromo-4-hydroxybenzonitrile octanoate;3,5-DIBROMO-4-HYDROXYBENZONITRILE, OCTANOIC ACID ESTER;'LGC' (1610);BROMOXYNIL-OCTANOATE;BROMOXYNIL OCTANOIC ACID ESTER;3,5-Dibromo-4-n-octanoyloxybenzonitrile
CAS:1689-99-2
MF:C15H17Br2NO2
MW:403.11
EINECS:216-885-3
Product Categories:NitrilesMethod Specific;2005/70/EU;A-BAlphabetic;Alpha sort;B;BI - BZEnvironmental Standards;European Community: ISO and DIN;Herbicides;MetabolitesPesticides&Metabolites;Pesticides&Metabolites;HERBICIDE
Mol File:1689-99-2.mol

Bromoxynil octanoate Chemical Properties

Melting point 45-46°C
Boiling point 424.6±45.0 °C(Predicted)
density 1.6040 (rough estimate)
vapor pressure 0Pa at 40℃
refractive index 1.6220 (estimate)
storage temp. Sealed in dry,Room Temperature
form Solid
color White to off-white
Water Solubility 30μg/L at 20℃
BRN 2756636
InChIInChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
InChIKeyDQKWXTIYGWPGOO-UHFFFAOYSA-N
SMILESC(OC1=C(Br)C=C(C#N)C=C1Br)(=O)CCCCCCC
LogP5.9 at 20℃
CAS DataBase Reference1689-99-2(CAS DataBase Reference)
NIST Chemistry Referenceoctanoic acid, 2,6-dibromo-4-cyanophenyl ester(1689-99-2)
EPA Substance Registry SystemBromoxynil octanoate (1689-99-2)

Safety Information

Hazard Codes T;N,N,T
Risk Statements 22-23-43-50/53-63
Safety Statements 36/37-45-60-61-63
RIDADR 2588
WGK Germany 3
RTECS DI3325000
TSCA TSCA listed
HazardClass 6.1(b)
PackingGroup III
Hazardous Substances Data1689-99-2(Hazardous Substances Data)
ToxicityLC50 (48-hour) for rainbow trout 150 μg/L (Hartley and Kidd, 1987), goldfish460 μg/L and catfish 63 μg/L (Worthing and Hance, 1991); acute oral LD50 for rats 365mg/kg (Hartley and Kidd, 1987).

Bromoxynil octanoate Usage And Synthesis

Chemical PropertiesBromoxynil is a colorless to white crystallinesolid or tan powder. Odorless (pure).
UsesSelective contact foliage-applied herbicide used to control many broad-leaved weedssuch as bindweed, chickweed and Veronica spp. in cereals.
UsesHerbicide.
General DescriptionA solid. Used as a selective contact herbicide.
Reactivity ProfileBromoxynil octanoate is an ester. Readily hydrolyzed to bromoxynil and octanoate at pH's exceeding 9.
Health HazardHighly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
Fire HazardNon-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways.
Flammability and ExplosibilityNot classified
Agricultural UsesHerbicide: A U.S. EPA restricted Use Pesticide (RUP).Herbicide used for alfalfa seedlings, barley, corn, flax,garlic, grasses, mint, oats, onions, popcorn, rye, sorghum,triticale, wheat. See also below.
Trade nameBROMINAL®-W; BUCTRIL®Bromoxynil octoate; NPH-1320®
Potential ExposureBromoxynil is a hydroxybenzonitrileherbicide used for postemergent control of broadleafweeds; on alfalfa, garlic, corn, sorghum, flax, cereals,turf and on pasture and rangelands. A United StatesEnvironmental Protection Agency RUP.
Environmental FateChemical/Physical. Emits toxic fumes of nitrogen oxides and bromine when heatedto decomposition (Sax and Lewis, 1987). Hydrolyzes, especially at pH >9, to bromoxyniland octanoic acid (Hartley and Kidd, 1987; Worthing and Hance, 1991).
ShippingUN2588 Pesticides, solid, toxic, Hazard Class:6.1; Labels: 6.1—Poisonous materials, Technical NameRequired.
IncompatibilitiesA weak acid; keep away from bases andalkalies. React with boranes, alkalies, aliphatic amines,amides, nitric acid, sulfuric acid. Keep away from oxidizers(chlorates, nitrates, peroxides, permanganates, perchlorates,chlorine, bromine, fluorine, etc.) and strong acids.
Waste DisposalDo not discharge into drainsor sewers. Dispose of waste material as hazardous wasteusing a licensed disposal contractor to an approved landfill.Incineration with effluent gas scrubbing is recommended.Consult with environmental regulatory agencies for guidanceon acceptable disposal practices. If allowed,Incineration with effluent gas scrubbing is recommended.Containers must be disposed of properly by followingpackage label directions or by contacting your local or federalenvironmental control agency, or by contacting yourregional EPA office.

Bromoxynil octanoate Preparation Products And Raw materials

Raw materialsThionyl chloride-->Bromine-->Hydroxylamine hydrochloride-->4-Hydroxybenzaldehyde-->Octanoic acid
Preparation ProductsBromoxynil
Bromoxynil CAS 1689-84-5
Brompheniramine CAS 86-22-6
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