6313-17-3

Basic information

• Product Name: 3-IODO-5-NITROBENZOIC ACID
• Synonyms: 3-IODO-5-NITROBENZOIC ACID;3-Carboxy-5-iodonitrobenzene;3-Iodo-5-nitrobenzoic acid 95+%;NSC 40643
• CAS NO: 6313-17-3
• Molecular Formula: C₇H₄INO₄
• Molecular Weight: 293.02
• Mol File: 6313-17-3.mol
• Article Data: 19

Chemical Properties

• Melting Point: 166-170°C
• Boiling Point: 410°C at 760 mmHg
• Flash Point: 201.8°C
• Appearance: /
• Density: 2.156g/cm³
• Vapor Pressure: 1.85E-07mmHg at 25°C
• Refractive Index: 1.702
• PKA: 3.13±0.10(Predicted)
• CAS DataBase Reference: 3-IODO-5-NITROBENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-IODO-5-NITROBENZOIC ACID(6313-17-3)
• EPA Substance Registry System: 3-IODO-5-NITROBENZOIC ACID(6313-17-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-50
• Safety Statements: 61
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 6313-17-3(Hazardous Substances Data)

Usage

General Description

3-Iodo-5-nitrobenzoic acid is a chemical compound with molecular formula C7H4INO4. It is a derivative of benzoic acid, containing a nitro group and an iodine atom attached to the benzene ring. 3-IODO-5-NITROBENZOIC ACID is widely used in the field of organic synthesis and pharmaceutical research due to its unique chemical properties. It is known for its ability to act as a versatile building block for the synthesis of heterocyclic compounds and various pharmaceutical intermediates. Additionally, it has been studied for its potential antibacterial and anti-inflammatory properties, making it a valuable compound for medicinal research and drug development.

InChI:InChI=1/C7H4INO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)

Upstream product

• 121-92-6 3-nitrobenzoic acid 
• 610-29-7 2-nitroterephthalic acid 
• 618-84-8 3-amino-5-nitro-benzoic acid 

Downstream Products

• 102153-73-1 3-amino-5-iodobenzoic acid 
• 50765-19-0 methyl 3-iodo-5-nitrobenzoate 
• 1138322-95-8 2'-methoxy-5-nitro-biphenyl-3-carboxylic acid 

Relevant articles and documents

Pd-Catalyzed Decarboxylative Ortho-Halogenation of Aryl Carboxylic Acids with Sodium Halide NaX Using Carboxyl as a Traceless Directing Group

A highly regioselective Pd-catalyzed carboxyl directed decarboxylative ortho-C-H halogenation of cheap o-nitrobenzoic acids with NaX (X = I, Br) under aerobic conditions has been established. The utility of the method has been demonstrated by the gram-scale reaction and derivatization of the product. Experimental results have confirmed Pd and Bi played critical roles in the transformation and indicated the transformation might proceed via 2-halo-6-nitrobenzoic acid derivative intermediate.

TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS

Compounds of the formula I: or a pharmaceutically acceptable salt thereof, wherein, R1 is optionally substituted tetrazolyl, R2 is optionally substituted phenyl, optionally substituted pyridinyl or optionally substituted thienyl, and R3, R4, R5 and R6 are as defined herein. Also provided are methods of using the compounds for treating diseases associated with the P2X3 and/or a P2X2/3 receptor antagonist and methods of making the compounds.

THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS

Compounds of the formula I: or a pharmaceutically acceptable salt thereof, wherein, R1 is optionally substituted thiadiazolyl, and R2, R3, R4, R5, R6, R7 and R8 are as defined herein. Also disclosed are methods of using the compounds for treating diseases associated with P2X3 and/or a P2X2/3 receptor antagonists and methods of making the compounds.