153775-42-9

Basic information

• Product Name: 4-cyano-3-nitrobenzoic acid
• Synonyms: 4-cyano-3-nitrobenzoic acid
• CAS NO: 153775-42-9
• Molecular Formula: C₈H₄N₂O₄
• Molecular Weight: 192.12836
• Mol File: 153775-42-9.mol
• Article Data: 6

Chemical Properties

• Melting Point: 205-206 °C
• Boiling Point: 438.1±40.0 °C(Predicted)
• Appearance: /
• Density: 1.56±0.1 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 2.91±0.10(Predicted)
• CAS DataBase Reference: 4-cyano-3-nitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-cyano-3-nitrobenzoic acid(153775-42-9)
• EPA Substance Registry System: 4-cyano-3-nitrobenzoic acid(153775-42-9)

Safety Data

• Hazardous Substances Data: 153775-42-9(Hazardous Substances Data)

Usage

General Description

4-Cyano-3-nitrobenzoic acid is a chemical compound with the formula C8H4N2O6. Its molecular weight is 224.13 g/mol. The chemical, in its purest form, is a yellow solid. It is made of 8 carbon atoms, 4 hydrogen atoms, 2 nitrogen atoms, and 6 oxygen atoms. 4-cyano-3-nitrobenzoic acid is part of the benzoic acid family, which are carboxylic acids containing a benzene ring. It possesses a nitro group (-NO2) and a cyano group (?CN), which contribute to the unique set of chemical properties such as reactivity and stability. 4-cyano-3-nitrobenzoic acid has potential usage in various industries including pharmaceuticals, dyestuffs, and agrochemicals due to its specific chemical structure and properties. However, like many other chemicals, proper safety measures should be taken while handling 4-cyano-3-nitrobenzoic acid as it can pose certain health and environmental risks.

Upstream product

• 96-99-1 4-chloro-3-nitrobenzoate 
• 151-50-8 potassium cyanide 
• 1588-83-6 4-amino-3-nitrobenzoic acid 
• 26830-95-5 4-methyl-2-nitrobenzonitrile 
• 1033997-01-1 methyl 4-cyano-3-nitrobenzoate 
• 87594-59-0 4-carbamoyl-3-nitrobenzoic acid 

Downstream Products

• 1033996-84-7 N-[2-bromo-6-ethyl-4-(1,2,2,3,3,3-hexafluoro-1-trifluoromethyl-propyl)-phenyl]-4-cyano-3-nitro-benzamide 
• 1251424-01-7 4-cyano-3-nitrobenzoyl chloride 
• 1254782-12-1 N-[2-bromo-6-chloro-4-(1,2,2,3,3,3-hexafluoro-1-trifluoromethylpropyl)-phenyl]-4-cyano-3-nitrobenzamide 
• 1208092-27-6 [(S)-(+)-5,5'-bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole][4-cyano-3-nitrobenzenecarboxylato] [1,2,3-eta-2-propenyl Ir(III)] 
• 1321562-68-8 4-cyano-N-{2,6-dichloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]phenyl}-3-nitrobenzamide 
• 1378870-42-8 4-cyano-N-(2-methyl-5-pentafluoroethyl-4-trifluoromethyl-2H-pyrazol-3-yl)-3-nitro-benzamide 
• 1613234-46-0 C₅₇H₅₁IrN₂O₈P₂ 
• 1346158-92-6 (R)-Ir-SEGPHOS 
• 1613234-48-2 C₅₉H₄₇IrN₂O₄P₂ 

Relevant articles and documents

Method for continuous preparation of nitriles by amides (by machine translation)

The method comprises the following steps: preparing a lead salt supported by a molecular sieve by a lead salt and a molecular sieve through an impregnation method; and filling a molecular sieve-loaded lead catalyst into a fixed bed reactor. The amide or amide solution is sent into a fixed bed reactor from the top of the fixed bed to be subjected to catalytic dehydration, and the obtained reaction product is led out from the bottom of the fixed bed. The reaction product is separated to obtain the crude product of the nitrile corresponding to the amide. A fixed bed continuous production process is adopted, the reaction process is simple, the production efficiency is high, the product post-treatment is simple, and industrial production is easy to realize. (by machine translation)

Improving the Selectivity of PACE4 Inhibitors through Modifications of the P1 Residue

Paired basic amino acid cleaving enzyme 4 (PACE4), a serine endoprotease of the proprotein convertases family, has been recognized as a promising target for prostate cancer. We previously reported a selective and potent peptide-based inhibitor for PACE4, named the multi-Leu peptide (Ac-LLLLRVKR-NH2 sequence), which was then modified into a more potent and stable compound named C23 with the following structure: Ac-dLeu-LLLRVK-Amba (Amba: 4-amidinobenzylamide). Despite improvements in both in vitro and in vivo profiles of C23, its selectivity for PACE4 over furin was significantly reduced. We examined other Arg-mimetics instead of Amba to regain the lost selectivity. Our results indicated that the replacement of Amba with 5-(aminomethyl)picolinimidamide increased affinity for PACE4 and restored selectivity. Our results also provide a better insight on how structural differences between S1 pockets of PACE4 and furin could be employed in the rational design of selective inhibitors.

INSECTICIDAL COMPOUNDS

A compound of formula (I): wherein A1, A2, A3, A4, R1, R2, G1, G2, Q1 and Q2 are as defined in claim 1; or a salt or N-oxide thereof. Furthermore