3766-81-2

Name Fenobucarb
CAS 3766-81-2
EINECS(EC#) 223-188-8
Molecular Formula C12H17NO2
MDL Number MFCD00053081
Molecular Weight 207.27
MOL File 3766-81-2.mol
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Chemical Properties

Melting point  31.75°C
Boiling point  346.3°C (rough estimate)
density  1.0681 (rough estimate)
refractive index  1.5220 (estimate)
Fp  11 °C
storage temp.  0-6°C
solubility  DMSO: 100 mg/mL (482.46 mM)
form  neat
pka 12.24±0.46(Predicted)
color  Colorless to light yellow
Specific Gravity 1.035 (30℃)
Water Solubility  89mg/L(22 ºC)
BRN  2052332
Henry's Law Constant 1.5×102 mol/(m3Pa) at 25℃, Watanabe (1993)
InChI 1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)
InChIKey DIRFUJHNVNOBMY-UHFFFAOYSA-N
SMILES CCC(C)c1ccccc1OC(=O)NC
CAS DataBase Reference 3766-81-2(CAS DataBase Reference)
NIST Chemistry Reference Phenol, 2-(1-methylpropyl)-, methylcarbamate(3766-81-2)
EPA Substance Registry System 3766-81-2(EPA Substance)
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Safety Data

Hazard Codes  Xn;N,N,Xn,T,F
Risk Statements 
R22:Harmful if swallowed.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable.
Safety Statements 
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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S24:Avoid contact with skin .
S16:Keep away from sources of ignition-No smoking .
S7:Keep container tightly closed .
RIDADR  UN 2811
WGK Germany  3
RTECS  FB5425000
TSCA  TSCA listed
HazardClass  6.1(b)
PackingGroup  III
HS Code  29224999
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Safety Profile
Poison by ingestion, skin contact, intravenous, and intraperitoneal routes. Used as an insecticide. When heated to decomposition it emits toxic fumes of NOx.

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