4315-09-7

Basic information

• Product Name: 4-NITROISOPHTHALIC ACID
• Synonyms: 4-NITROPHENYL-1,3-DICARBOXYLIC ACID;4-NITROISOPHTHALIC ACID;4-NITRO-1,3-DICARBOXYLIC ACID;4-NITROISOPHATHALIC ACID4-NITROPHENYL-1,3-DICARBOXYLIC ACID;4-Nitrophenyl-1,3-dicarboxylic acid ,97%;4-Nitroisophathalic Acid;Nitroisophathalic Acid;4-Nitroisophthalic aid
• CAS NO: 4315-09-7
• Molecular Formula: C₈H₅NO₆
• Molecular Weight: 211.13
• Mol File: 4315-09-7.mol
• Article Data: 30

Chemical Properties

• Melting Point: 258-259°C
• Boiling Point: 492.9 °C at 760 mmHg
• Flash Point: 222.5 °C
• Appearance: /
• Density: 1.671 g/cm³
• Vapor Pressure: 1.56E-10mmHg at 25°C
• Refractive Index: 1.66
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 1.86±0.25(Predicted)
• CAS DataBase Reference: 4-NITROISOPHTHALIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-NITROISOPHTHALIC ACID(4315-09-7)
• EPA Substance Registry System: 4-NITROISOPHTHALIC ACID(4315-09-7)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 4315-09-7(Hazardous Substances Data)

Usage

Chemical Properties

Off-white powder

InChI:InChI=1/C8H5NO6/c10-7(11)4-1-2-6(9(14)15)5(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)

Upstream product

• 108-38-3 m-xylene 
• 121-91-5 isophthalic acid 
• 7697-37-2 nitric acid 
• 102878-76-2 3-ethyl-6-nitrotoluene 
• 3113-71-1 3-methyl-4-nitrobenzoic acid 
• 89-87-2 2,4-dimethylnitrobenzene 
• 7732-18-5 water 
• 777-69-5 3-(acetylamino-methyl)-benzoic acid 
• 3113-72-2 5-methyl-2-nitrobenzoic acid 

Downstream Products

• 1253261-36-7 2,4-bishydroxymethyl nitrobenzene 
• 88678-15-3 4-nitroisophthalic acid dichloride 
• 636-46-4 4-hydroxyisophthalic acid 

Relevant articles and documents

Discovery of Novel Pyrazole-Quinazoline-2,4-dione Hybrids as 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors

4-Hydroxyphenylpyruvate dioxygenase (HPPD, EC 1.13.11.27) has been identified as one of the most significant targets in herbicide discovery for resistant weed control. In a continuing effort to discover potent novel HPPD inhibitors, we adopted a ring-expansion strategy to design a series of novel pyrazole-quinazoline-2,4-dione hybrids based on the previously discovered pyrazole-isoindoline-1,3-dione scaffold. One compound, 3-(2-chlorophenyl)-6-(5-hydroxy-1,3-dimethyl-1H-pyrazole-4-carbonyl)-1,5-dimethylquinazoline-2,4(1H,3H)-dione (9bj), displayed excellent potency against AtHPPD, with an IC50 value of 84 nM, which is approximately 16-fold more potent than pyrasulfotole (IC50 = 1359 nM) and 2.7-fold more potent than mesotrione (IC50 = 226 nM). Furthermore, the co-crystal structure of the AtHPPD-9bj complex (PDB ID 6LGT) was determined at a resolution of 1.75 ?. Similar to the existing HPPD inhibitors, compound 9bj formed a bidentate chelating interaction with the metal ion and a π-πstacking interaction with Phe381 and Phe424. In contrast, o-chlorophenyl at the N3 position of quinazoline-2,4-dione with a double conformation was surrounded by hydrophobic residues (Met335, Leu368, Leu427, Phe424, Phe392, and Phe381). Remarkably, the greenhouse assay indicated that most compounds displayed excellent herbicidal activity (complete inhibition) against at least one of the tested weeds at the application rate of 150 g of active ingredient (ai)/ha. Most promisingly, compounds 9aj and 9bi not only exhibited prominent weed control effects with a broad spectrum but also showed very good crop safety to cotton, peanuts, and corn at the dose of 150 g of ai/ha.

Triketone-based compound preparation method

The invention relates to the field of preparation of pesticides, and discloses a triketone-based compound preparation method, wherein the triketone-based compound has a structure represented by a formula (1). The method comprises that 1) a compound represented by a formula (2), 1,3-cyclohexanedione and CO are subjected to a reaction in the presence of a first catalyst under an alkali condition toobtain a product represented by a formula (3); and 2) the product represented by the formula (3) contacts a second catalyst and an alkali substance under a rearrangement reaction condition to obtain the triketone-based compound represented by the formula (1). According to the present invention, with the method, the triketone-based compound can be obtained in the low-cost and high-yield manner; andthe purity of the triketone-based compound obtained through the method is high. The formulas (1), (2) and (3) are defined in the specification.

Method for preparing nitro aromatic acid/nitro alpha-aryl alcohol through oxidizing substituted alkyl nitrobenzene by oxygen

A method for preparing nitro aromatic acid/nitro alpha-aryl alcohol through oxidizing substituted alkyl nitrobenzene by oxygen comprises the following steps: taking substituted alkyl nitrobenzene shown as the formula (1) as a raw material, oxygen as an oxidizing agent and sodium hydroxide as an alkaline substance, mixing in a solvent uniformly, reacting for 3 to 24h at the temperature of 25 to 65 DEG C, and treating obtained reaction liquid to obtain the nitro aromatic acid or nitro alpha-aryl alcohol; the mass ratio of the substituted alkyl nitrobenzene to the sodium hydroxide is 1 to (2 to 10) and the oxygen pressure is 0.1 to 2.0 MPa. The method provided by the invention has the advantages that a catalyst is not needed, the raw material is low in price and easy to recycle, the reaction temperature is moderate, the production and control are easy; the raw material transformation rate is high; the target product selectivity is high, the yield is up to 91%, and the application prospect is wide. The formula (1) is shown in the description.