3970-35-2

Basic information

• Product Name: 2-Chloro-3-nitrobenzoic acid
• Synonyms: 2-Chloro-3-nitrobenzoic acid,98%;2-Chloro-3-nitrobenz;2-Chloro-3-nitrobenzoic acid, 98% 5GR;Chloro-3-nitrobenzoica;2-Chloro-3-nitrobenzoic Acid, 97+%;2-Chloro-3-carboxynitrobenzene;2-CHLORO-3-NITROBENZOIC ACID
• CAS NO: 3970-35-2
• Molecular Formula: C₇H₄ClNO₄
• Molecular Weight: 201.56
• EINECS: 223-590-3
• Product Categories: Benzoic acid;API intermediates;C7;Carbonyl Compounds;Carboxylic Acids;Building Blocks;Carbonyl Compounds;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks;Acids and Derivatives;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
• Mol File: 3970-35-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 183-187 °C(lit.)
• Boiling Point: 359.9 °C at 760 mmHg
• Flash Point: 171.5 °C
• Appearance: White to cream-yellow with a green cast/Powder
• Density: 1.6620
• Vapor Pressure: 8.27E-06mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: pK1: 2.02 (25°C)
• BRN: 645427
• CAS DataBase Reference: 2-Chloro-3-nitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-3-nitrobenzoic acid(3970-35-2)
• EPA Substance Registry System: 2-Chloro-3-nitrobenzoic acid(3970-35-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-37/38-36
• Safety Statements: 26-36-37/39
• WGK Germany: 3
• Hazardous Substances Data: 3970-35-2(Hazardous Substances Data)

Usage

Chemical Properties

White to light yellow crystal powder

Uses

Different sources of media describe the Uses of 3970-35-2 differently. You can refer to the following data:
1. 2-Chloro-3-nitrobenzoic acid is used in a microwave-promoted Ulmann condensation with 2-aminopyridines.
2. 2-Chloro-3-nitrobenzoic acid was used as reagent during the synthesis of new biprivileged molecular scaffolds of tetracyclic indolo-benzodiazepines and indolo-quinoxalines. It was used in a microwave-promoted Ulmann condensation with 2-aminopyridines.

General Description

2-Chloro-3-nitrobenzoic acid undergoes condensation with aminoquinolines to yield phenylquinolylamines.

InChI:InChI=1/C7H4ClNO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11)/p-1

Upstream product

• 606-18-8 3-nitroanthranilic acid 
• 95-51-2 o-chloroaniline 
• 7697-37-2 nitric acid 
• 118-91-2 ortho-chlorobenzoic acid 
• 3970-40-9 2-chloro-3-nitrotoluene 
• 34662-24-3 3-nitro-2-chlorobenzonitrile 
• 873-32-5 2-Chlorobenzonitrile 
• 53663-14-2 anhydro-2-hydroxymercuri-3-nitrobenzoic acid 

Downstream Products

• 108679-71-6 2-chloro-3-aminobenzoic acid 
• 53553-14-3 2-chloro-3-nitrobenzoic acid methyl ester 
• 171874-46-7 7-hydroxymethyl-2-thioxo-2,3-dihydrobenzothiazole 
• 89898-75-9 7-carboxy-2-thioxo-2,3-dihydrobenzothiazole 
• 606-18-8 3-nitroanthranilic acid 
• 939036-67-6 methyl N-(6-carboxy-2-nitrophenyl)glycinate 
• 3970-37-4 1-bromo-2-chloro-3-nitrobenzene 
• 89639-98-5 (2-chloro-3-nitrophenyl)methanol 
• 124341-38-4 2-(methylamino)-3-nitro-benzoic acid 
• 134848-08-1 N-((S)-1-Carbamoyl-ethyl)-2-chloro-3-nitro-benzamide 
• 133761-32-7 N-(3',5'-Dimethoxyphenyl)-3-nitroanthranilsaeure 
• 117054-73-6 2-chloro-3-nitrobenzoic acid ethylamide 
• 51689-36-2 dibenzo<1,4>dioxin-1-carboxylic acid 
• 85-38-1 3-nitrosalicylic acid 

Relevant articles and documents

Advanced Real-Time Process Analytics for Multistep Synthesis in Continuous Flow**

In multistep continuous flow chemistry, studying complex reaction mixtures in real time is a significant challenge, but provides an opportunity to enhance reaction understanding and control. We report the integration of four complementary process analytical technology tools (NMR, UV/Vis, IR and UHPLC) in the multistep synthesis of an active pharmaceutical ingredient, mesalazine. This synthetic route exploits flow processing for nitration, high temperature hydrolysis and hydrogenation reactions, as well as three inline separations. Advanced data analysis models were developed (indirect hard modeling, deep learning and partial least squares regression), to quantify the desired products, intermediates and impurities in real time, at multiple points along the synthetic pathway. The capabilities of the system have been demonstrated by operating both steady state and dynamic experiments and represents a significant step forward in data-driven continuous flow synthesis.

Preparation and NMR analysis of 2,6-heterodifunctional halobenzenes as precursors for substituted biphenyls

Preparation and complete characterization of 16 2,6-disubstituted halobenzenes, including nine new compounds, from two common starting materials is described. Seven of the new compounds contain one or two propylthio groups, which have been introduced in two ways. Direct reaction of arenediazonium salts with 1-propanethiolate gives yields comparable to those obtained in a three-step method through sulfonyl chlorides. The 1H- and 13C NMR chemical shifts of 17 1,2,3-trisubstituted benzenes have been correlated with the predicted values and the observed trends explained using commonly available modeling packages.