DINOTERB ACETATE

Molecule structure of Dinoterb acetate (CAS NO.3204-27-1):

IUPAC Name: (2-tert-Butyl-4,6-Dinitrophenyl) acetate 
Molecular Weight: 282.24936 g/mol
Molecular Formula: C₁₂H₁₄N₂O₆ 
Density: 1.298 g/cm³ 
Boiling Point: 374.2 °C at 760 mmHg 
Flash Point: 151.9 °C
Index of Refraction: 1.548
Molar Refractivity: 69.07 cm³
Molar Volume: 217.4 cm³
Polarizability: 27.38×10^-24 cm³
Surface Tension: 46.5 dyne/cm
Enthalpy of Vaporization: 62.16 kJ/mol
Vapour Pressure: 8.49E-06 mmHg at 25 °C
XLogP3-AA: 3
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Exact Mass: 282.085186
MonoIsotopic Mass: 282.085186
Topological Polar Surface Area: 113
Heavy Atom Count: 20
Complexity: 406
Canonical SMILES: CC(=O)OC1=C(C=C(C=C1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C12H14N2O6/c1-7(15)20-11-9(12(2,3)4)5-8(13(16)17)6-10(11)14(18)19/h5-6H,1-4H3
InChIKey: BMJYKXALMDAIEG-UHFFFAOYSA-N
EINECS: 221-706-7
Product Categories: DinitrophenolEnvironmental Standards; Alpha sort; D; DAlphabetic; DID - DINPesticides&Metabolites; Herbicides; Metabolites; Pesticides&Metabolites

Hazard Codes: T+, N
Risk Statements: 61-24-28-50/53
R61:May cause harm to the unborn child.
R24:Toxic in contact with skin.
R28:Very toxic if swallowed.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 53-45-60-61
S53:Avoid exposure - obtain special instructions before use.
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: UN2811 6.1/PG 3
RTECS: SK0175000
Poison by ingestion. When heated to decomposition it emits toxic fumes of NO_x. See also 2-(1,1-DIMETHYLETHYL)-4,6-DINITROPHENOL (dinoterb).

 Dinoterb acetate (CAS NO.3204-27-1) is also named as 2-(1,1-Dimethylethyl)-4,6-dinitrophenol acetate ; 2-terc.Butyl-4,6-dinitrofenylester kyseliny octove ; 2-terc.Butyl-4,6-dinitrofenylester kyseliny octove [Czech] ; 2-tert-Butyl-4,6-dinitrophenyl acetate ; Acetic acid 2-tert-butyl-4,6-dinitrophenyl ester ; BRN 2163325 ; Dinoterbe acetate ; MC 1108 ; P-1108 . Dinoterb acetate (CAS NO.3204-27-1) is high toxic. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Dinoterb acetate (CAS NO.3204-27-1) separate from raw materials of food.