1689-99-2

Name Bromoxynil octanoate
CAS 1689-99-2
EINECS(EC#) 216-885-3
Molecular Formula C7H15BrO3Si
MDL Number MFCD00055484
Molecular Weight 255.18
MOL File 1689-99-2.mol

Chemical Properties

Appearance Bromoxynil is a colorless to white crystalline solid or tan powder. Odorless (pure).
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  neat
color  White to off-white
Water Solubility  30μg/L at 20℃
BRN  2756636
Henry's Law Constant 3.1×10-1 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
InChI InChI=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
InChIKey DQKWXTIYGWPGOO-UHFFFAOYSA-N
SMILES C(OC1=C(Br)C=C(C#N)C=C1Br)(=O)CCCCCCC
LogP 5.9 at 20℃
CAS DataBase Reference 1689-99-2(CAS DataBase Reference)
NIST Chemistry Reference octanoic acid, 2,6-dibromo-4-cyanophenyl ester(1689-99-2)
EPA Substance Registry System 1689-99-2(EPA Substance)

Safety Data

Hazard Codes  T;N,N,T
Risk Statements 
R22:Harmful if swallowed.
R23:Toxic by inhalation.
R43:May cause sensitization by skin contact.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R63:Possible risk of harm to the unborn child.
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S63:In case of accident by inhalation, remove casualty to fresh air and keep at rest.
RIDADR  2588
WGK Germany  3
RTECS  DI3325000
TSCA  TSCA listed
REACH Registrations Active
HazardClass  6.1(b)
PackingGroup  III
Hazardous Substances Data 1689-99-2(Hazardous Substances Data)
Toxicity
LC50 (48-hour) for rainbow trout 150 μg/L (Hartley and Kidd, 1987), goldfish 460 μg/L and catfish 63 μg/L (Worthing and Hance, 1991); acute oral LD50 for rats 365 mg/kg (Hartley and Kidd, 1987).

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