91842-77-2 Usage
Uses
Used in Pharmaceutical Synthesis:
3-Chloro-4-(methylsulfonyl)nitrobenzene is utilized as a key intermediate in the production of pharmaceuticals. Its unique structure allows for the creation of a wide range of medicinal compounds, contributing to the development of new drugs and therapies.
Used in Agrochemical Production:
In the agrochemical industry, 3-Chloro-4-(methylsulfonyl)nitrobenzene serves as an essential component in the synthesis of various agrochemicals. It aids in the development of products designed to protect crops and enhance agricultural productivity.
Used in Dye Manufacturing:
3-Chloro-4-(methylsulfonyl)nitrobenzene is also employed in the manufacturing of dyes. Its chemical properties make it suitable for the production of a variety of dyes used in different industries, including textiles and plastics.
Used as a Chemical Intermediate:
Beyond its direct applications, 3-Chloro-4-(methylsulfonyl)nitrobenzene is widely used as an intermediate in the synthesis of other chemicals. Its reactivity and functional groups make it a valuable building block for creating more complex chemical structures.
Safety Precautions:
Given its toxic and harmful nature, 3-Chloro-4-(methylsulfonyl)nitrobenzene requires careful handling and storage. It can cause irritation to the respiratory system and skin, and is particularly dangerous if swallowed or inhaled. Therefore, proper safety measures, including the use of personal protective equipment and secure storage conditions, are essential when working with 3-Chloro-4-(methylsulfonyl)nitrobenzene.
Check Digit Verification of cas no
The CAS Registry Mumber 91842-77-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,8,4 and 2 respectively; the second part has 2 digits, 7 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 91842-77:
(7*9)+(6*1)+(5*8)+(4*4)+(3*2)+(2*7)+(1*7)=152
152 % 10 = 2
So 91842-77-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H6ClNO4S/c1-14(12,13)7-3-2-5(9(10)11)4-6(7)8/h2-4H,1H3
91842-77-2Relevant academic research and scientific papers
1,2-Diarylpyrroles as potent and selective inhibitors of cyclooxygenase- 2
Khanna, Ish K.,Weier, Richard M.,Yu, Yi,Collins, Paul W.,Miyashiro, Julie M.,Koboldt, Carol M.,Veenhuizen, Amy W.,Currie, Jerry L.,Seibert, Karen,Isakson, Peter C.
, p. 1619 - 1633 (2007/10/03)
Series of 1,2-diarylpyrroles has been synthesized and found to contain very potent and selective inhibitors of the human cyclooxygenase-2 (COX-2) enzyme. The paper describes short and practical syntheses of the target molecules utilizing the Paal-Knorr reaction. Electrophilic substitution on 1 proceeds in a regioselective fashion, and the method was used to generate a number of tetrasubstituted pyrroles. Detailed SAR on the series has been studied by modifications of the aryl rings and the substituents in the pyrrole ring. Diarylpyrrole 1 is a very potent (COX-2, IC50 = 60 nm) and selective (COX-1/COX-2 = > 1700) inhibitor whereas the isomeric 2 is completely inactive against COX-2. Modifications of the substituents on the fluorophenyl ring in 1 yields very potent inhibitors of COX-2 (IC50 = 40- 80 nm) with excellent selectivity(1200 to >2500) vs COX-1, Analog 20 containing a sulfonamide group is an excellent inhibitor of COX-2 with an IC50 of 14 nm. Tetrasubstituted pyrroles containing groups such as COCF3, SO2CF3, or CH2OAr at position 3 in the pyrrole ring give excellent inhibitors (COX-2, IC50 = 30-120 nm). In vivo testing in the carrageenan- induced paw edema model in the rat establishes that the 1,2-diarylpyrroles are orally active antiinflammatory agents. Compound 3 is the most potent inhibitor of edema with an ED50 of 4.7 mpk.
