4506-45-0

Basic information

• Product Name: 5-CHLORO-2-FORMYL-BENZOIC ACID
• Synonyms: 5-CHLORO-2-FORMYL-BENZOIC ACID
• CAS NO: 4506-45-0
• Molecular Formula: C₈H₅ClO₃
• Molecular Weight: 184.58
• Mol File: 4506-45-0.mol
• Article Data: 8

Chemical Properties

• Melting Point: 122-124 °C
• Boiling Point: 347°C at 760 mmHg
• Flash Point: 163.7°C
• Appearance: /
• Density: 1.469g/cm³
• Vapor Pressure: 2.09E-05mmHg at 25°C
• Refractive Index: 1.632
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 4.20±0.10(Predicted)
• CAS DataBase Reference: 5-CHLORO-2-FORMYL-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-2-FORMYL-BENZOIC ACID(4506-45-0)
• EPA Substance Registry System: 5-CHLORO-2-FORMYL-BENZOIC ACID(4506-45-0)

Safety Data

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39
• Hazardous Substances Data: 4506-45-0(Hazardous Substances Data)

Usage

General Description

5-Chloro-2-formyl-benzoic acid, also known as 2-Formyl-5-chlorobenzoic acid, is a chemical compound with the molecular formula C8H5ClO3. 5-CHLORO-2-FORMYL-BENZOIC ACID belongs to the class of organic compounds known as chlorobenzoic acids and derivatives, which are compounds containing a benzoic acid (or a derivative), which is ortho-substituted with a chlorine atom. These substances are characterized by a benzene ring bearing a carboxylic acid or one of its derivatives and a chlorine atom. Like most chemicals, it should be handled with care to prevent it from causing harm. Its derivatives may be used in the development or synthesis of other products in industries such as pharmaceuticals, cosmetics, and agriculture.

InChI:InChI=1/C8H5ClO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12)

Upstream product

• 21739-93-5 2-bromo-5-chlorobenzoic acid 
• 68-12-2 N,N-dimethyl-formamide 
• 610-93-5 6-nitrophthalide 
• 19641-29-3 6-chlorophthalide 
• 57319-65-0 6-aminophthalide 
• 87-41-2 2-benzofuran-1(3H)-one 
• 40125-48-2 3-bromo-6-chloro-2-benzofuran-1-(3H)-one 
• 41634-28-0 4-chlorobenzocyclobutene-1,2-dione 

Downstream Products

• 908353-95-7 5-chloro-2-bis[5-(tert-butyl)-2-furyl]methylbenzoic acid 
• 917571-19-8 3-[5-(tert-butyl)-2-furyl]-6-chloro-1,3-dihydro-1-isobenzofuranone 
• 1203589-45-0 methyl 5-chloro-2-formylbenzoate 
• 1240500-27-9 5-chloro-2-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid 
• 1240500-31-5 N-(4-methylphenyl)-7-chloro-1-oxo-1H-isothiochromene-3-carboxamide 
• 33886-49-6 6-chloro-2-phenylisoindolin-1-one 
• 871502-89-5 5-chloro-2-bis(5-methyl-2-furyl)methylbenzoic acid 
• 1033595-99-1 6-chloro-3-(5-methylfuran-2-yl)-2-benzofuran-1⁽³⁾-one 
• 1496538-32-9 C₁₄H₉ClN₂O₂ 
• 893768-41-7 C₁₅H₁₀ClNO₄ 
• 1352835-12-1 2-((3-(1-carbamoyl-7-(2-methoxyethoxy)-9H-pyrido[3,4-b]indol-4-yl)-2-methylphenylamino)methyl)-5-chlorobenzoic acid 
• 1352836-52-2 5-chloro-2-((3-(4-(methoxycarbonyl)-7-(2-methoxyethoxy)-5H-pyridazino[4,5-b]indol-1-yl)-2-methylphenylamino)methyl)benzoic acid 
• 1352835-72-3 2-((3-(1-carbamoyl-7-((2-(trimethylsilyl)ethoxy)carbonylamino)-9H-pyrido[3,4-b]indol-4-yl)-2-methylphenylamino)methyl)-5-chlorobenzoic acid 
• 1352835-62-1 2-((3-(7-(3-tert-butyldimethylsilyloxypyrrolidin-1-yl)-1-carbamoyl-9H-pyrido[3,4-b]indol-4-yl)-2-methylphenylamino)methyl)-5-chlorobenzoic acid 

Relevant articles and documents

Synthesis of 3-Benzylphthalide Derivatives by Using a TDAE Strategy

A one-pot synthesis of new 3-benzylphthalide derivatives was developed by using a strategy based on tetrakis(dimethylamino)ethylene (TDAE). The reactions in the presence of TDAE of substituted benzyl chlorides with methyl 2-formylbenzoate or of substitute

Enantioselective addition of arylboronic acids to methyl 2-formylbenzoates by using a ruthenium/Me-BIPAM catalyst for synthesis of chiral 3-aryl-isobenzofuranones

Ruthenium/Me-BIPAM-catalyzed asymmetric addition of arylboronic acids to methyl 2-formylbenzoates afforded chiral 3-aryl-isobenzofuranones. [RuCl2(p-cymene)]2/Me-BIPAM and RuCl2(PPh3)3/Me-BIPAM catalyst systems tolerate a variety of functional groups and give high yields with high enantioselectivities.

Synthesis of isothiocoumarin derivatives

A method was developed for the synthesis of 1-oxo-1H-isothiochromenes from 2-benzofuran-1(3H)-one (phthalide). 3-Bromo-6-chloro- and 3,6-dibromo-2- benzofuran-1(3H)-ones were prepared by the bromination of 6-chloro- and 6-bromo-2-benzofuran-1(3H)-ones and were converted by hydrolysis into 5-chloro- or 5-bromo-2-formylbenzoic acids. The condensation of these acids with rhodanine followed by recyclization gave 7-chloro- and 7-bromo-1-oxo-1H-isothiochromene- 3-carboxylic acids.