4099-63-2 Usage
Physical appearance
Yellow crystalline solid This describes the color and form of the compound, which is a yellow, crystalline solid substance.
Common uses
Pesticide and herbicide 2,6-Dinitro-4-ethylphenol is widely used for controlling pests and unwanted plants in agricultural and forestry settings.
Mode of action
Inhibiting plant growth and disrupting metabolic processes The compound works by interfering with the growth and metabolism of unwanted plants, effectively controlling their spread.
Toxicity
Toxic to aquatic organisms 2,6-Dinitro-4-ethylphenol can be harmful to aquatic life, affecting the balance of ecosystems.
Health risks
Potential risk to human health if ingested or inhaled The compound may pose a threat to human health if it is accidentally consumed or breathed in.
Regulation
Heavily regulated in many countries Due to its potential hazards, the use of 2,6-Dinitro-4-ethylphenol is strictly controlled in various countries to minimize its harmful effects on humans and the environment.
Check Digit Verification of cas no
The CAS Registry Mumber 4099-63-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,0,9 and 9 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 4099-63:
(6*4)+(5*0)+(4*9)+(3*9)+(2*6)+(1*3)=102
102 % 10 = 2
So 4099-63-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H8N2O5/c1-2-5-3-6(9(12)13)8(11)7(4-5)10(14)15/h3-4,11H,2H2,1H3
4099-63-2Relevant academic research and scientific papers
Iodine(III)-Catalyzed Electrophilic Nitration of Phenols via Non-Br?nsted Acidic NO2+ Generation
Juárez-Ornelas, Kevin A.,Jiménez-Halla, J. Oscar C.,Kato, Terumasa,Solorio-Alvarado, César R.,Maruoka, Keiji
supporting information, p. 1315 - 1319 (2019/03/07)
The first catalytic procedure for the electrophilic nitration of phenols was developed using iodosylbenzene as an organocatalyst based on iodine(III) and aluminum nitrate as a nitro group source. This atom-economic protocol occurs under mild, non-Br?nsted acidic and open-flask reaction conditions with a broad functional-group tolerance including several heterocycles. Density functional theory (DFT) calculations at the (SMD:MeCN)Mo8-HX/(LANLo8+f,6-311+G) level indicated that the reaction proceeds through a cationic pathway that efficiently generates the NO2+ ion, which is the nitrating species under neutral conditions.
