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Name	Ioxynil octanoate	EINECS	N/A
CAS No.	3861-47-0	Density	1.81g/cm³
PSA	50.09000	LogP	5.03338
Solubility	N/A	Melting Point	52-62 °C
Formula	C15H17 I2 N O2	Boiling Point	469.5°Cat760mmHg
Molecular Weight	497.114	Flash Point	237.8°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by ingestion. Moderately toxic by skin contact. Mutation data reported. An herbicide. When heated to decomposition it emits very toxic fumes of I⁻, NO_x, and CN⁻. See also NITRILES.	Risk Codes	25-36-43-63-50/53
Molecular Structure		Hazard Symbols
Synonyms	Octanoicacid, ester with 4-hydroxy-3,5-diiodobenzonitrile (7CI,8CI);3,5-Diiodo-4-n-octanoyloxybenzonitrile; 3,5-Diiodo-4-octanoyloxybenzonitrile;Bentrol L; Ioxynil octanoate; MB 11641; Totril

Ioxynil octanoate Chemical Properties

MF: C₁₅H₁₇I₂NO₂
MW: 497.11
EINECS: 223-375-4
Density: 1.81 g/cm³
Flash Point: 237.8 °C
Storage temp: 0-6°C
Melting Point: 52-62 °C
Index of Refraction: 1.62
Enthalpy of Vaporization: 73.19 kJ/mol
Vapour Pressure: 5.46E-09 mmHg at 25°C
IUPAC Name: (4-Cyano-2,6-diiodophenyl) octanoate
Boiling Point of 3,5-Diiodo-4-octanoyloxybenzonitril (CAS NO.3861-47-0): 469.5 °C at 760 mmHg
Synonyms: 3,5-Diiodo-4-hydroxybenzonitrile octanoate ; 3,5-Diiodo-4-hydroxybenzonitrile,octanoylester ; 3,5-Diiodo-4-hydroxy-benzonitriloctanoate ; 3,5-Diiodo-4-N-octanoyloxybenzonitrile ; 3,5-Diiodo-4-octanoyloxy-benzonitril ; 3,5-Dijod-4-hydroxy-benzonitril caprysaeureester
Following is the molecular structure of 3,5-Diiodo-4-octanoyloxybenzonitril (CAS NO.3861-47-0):

Ioxynil octanoate Toxicity Data With Reference

1.	mrc-bcs 20 µg/disc/24H	MUREAV Mutation Research. 40 (1976),19.
2.	orl-rat LD50:190 mg/kg	GUCHAZ Guide to the Chemicals Used in Crop Protection 6 (1973),305.
3.	skn-rat LD50:500 mg/kg	85JFAN “Agrochemicals Handbook“, with updates, Hartley, D., and H. Kidd, eds., Nottingham, UK, Royal Soc. of Chemistry, 1983-86 A233 ,1983.
4.	orl-mus LD50:240 mg/kg	GUCHAZ Guide to the Chemicals Used in Crop Protection 6 (1973),305.
5.	skn-mus LD50:1240 mg/kg	OYYAA2 Oyo Yakuri. Pharmacometrics. 1 (1967),78.

Ioxynil octanoate Consensus Reports

EPA Genetic Toxicology Program. Cyanide and its compounds are on the Community Right-To-Know List.

Ioxynil octanoate Safety Profile

Poison by ingestion. Moderately toxic by skin contact. Mutation data reported. An herbicide. When heated to decomposition it emits very toxic fumes of I⁻, NO_x, and CN⁻.
Safety Information of 3,5-Diiodo-4-octanoyloxybenzonitril (CAS NO.3861-47-0):
Hazard Codes: T Toxic ,N Dangerous
Risk Statements: 25-36-43-63-50/53
R25 : Toxic if swallowed.
R36: Irritating to eyes.
R43: May cause sensitization by skin contact.
R63: Possible risk of harm to the unborn child.
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-36/37-45-60-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37: Wear suitable protective clothing and gloves.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60: This material and its container must be disposed of as hazardous waste.
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: 2588
RTECS: RH0410000
HazardClass: 6.1(b)
PackingGroup: III

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