116465-48-6

Basic information

• Product Name: 2,5-Difluoro-4-nitrobenzoic acid
• Synonyms: 2,5-DIFLUORO-4-NITROBENZENECARBOXYLIC ACID;2,5-DIFLUORO-4-NITROBENZOIC ACID;2,5-Difluoro-4-Nitrobenzenecar;2,5-Difluoro-4-nitrobenzoic acid 98%;2,5-Difluoro-4-nitrobenzenecarboxylic;4-Carboxy-2,5-difluoronitrobenzene
• CAS NO: 116465-48-6
• Molecular Formula: C₇H₃F₂NO₄
• Molecular Weight: 203.1
• Product Categories: API intermediates;Fluorine series
• Mol File: 116465-48-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 147-148
• Boiling Point: 364.8 °C at 760 mmHg
• Flash Point: 174.4 °C
• Appearance: White to pale green/Solid
• Density: 1.661 g/cm³
• Vapor Pressure: 5.8E-06mmHg at 25°C
• Refractive Index: 1.563
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.03±0.13(Predicted)
• Water Solubility: Slightly soluble in water.
• CAS DataBase Reference: 2,5-Difluoro-4-nitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Difluoro-4-nitrobenzoic acid(116465-48-6)
• EPA Substance Registry System: 2,5-Difluoro-4-nitrobenzoic acid(116465-48-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA: No
• HazardClass: IRRITANT
• Hazardous Substances Data: 116465-48-6(Hazardous Substances Data)

Usage

Uses

2,5-Difluoro-4-nitrobenzoic acid is used as a pharmaceutical intermediate.

Synthesis Reference(s)

Journal of Medicinal Chemistry, 35, p. 2321, 1992 DOI: 10.1021/jm00090a024

InChI:InChI=1/C7H3F2NO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

Upstream product

• 141412-60-4 1,4-difluoro-2-methyl-5-nitrobenzene 
• 452-67-5 1,4-difluoro-2-methylbenzene 
• 540-36-3 para-difluorobenzene 
• 399-94-0 2-bromo-1,4-difluorobenzene 
• 172921-32-3 2,5-difluoro-4-nitrobenzonitrile 

Downstream Products

• 773108-64-8 4-amino-2,5-difluoro-benzoic acid 
• 1001345-80-7 2‐fluoro‐5‐methoxy‐4‐nitrobenzoic acid 
• 1001345-94-3 2,5-difluoro-N-(1-methyl-4-piperidyl)-4-nitro-benzamide 
• 141412-61-5 diethyl N-(4-amino-2,5-difluorobenzoyl)-L-glutamate 
• 141412-63-7 diethyl N-(2,5-difluoro-4-(methylamino)benzoyl)-L-glutamate 
• 7498-31-9 diethyl N-(2,5-difluoro-4-nitrobenzoyl)-L-glutamate 
• 141412-62-6 diethyl N-(2,5-difluoro-4-(prop-2-ynylamino)benzoyl)-L-glutamate 
• 141412-84-2 N-(2,5-difluoro-4-{N-[(3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino}benzoyl)-L-glutamic acid 
• 141412-69-3 diethyl N-(2,5-difluoro-4-(N-((3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)methylamino)benzoyl)-L-glutamate 
• 141412-83-1 N-(2,5-difluoro-4-{N-[(3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]prop-2-ynylamino}benzoyl)-L-glutamic acid 
• 141412-68-2 diethyl N-(2,5-difluoro-4-(N-((3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)prop-2-ynylamino)benzoyl)-L-glutamate 
• 917909-48-9 2,5-difluoro-4-nitrobenzamide 
• 924868-81-5 methyl 2,5-difluoro-4-nitrobenzoate 
• 1001345-79-4 2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)-4-nitrobenzamide 

Relevant articles and documents

A 2, 5 - difluoro -4 - nitro benzoic acid (by machine translation)

The invention discloses a 2, 5 - difluoro - 4 - nitro-benzoic acid industrial preparation method. The 2, 5 - difluoro - 4 - nitro-benzoic acid industrial preparation method, the initial raw materials to the difluoro, through the bromo, nitration, carbonitriding, the hydrolysis of the four-step reaction synthesis of 2, 5 - difluoro - 4 - nitro-benzoic acid. The got in the course of 2, 5 - difluoro - 4 - nitrobenzoic acid as white powdery solid, purity 98.5%, each step the raw material conversion rate respectively reaches 100%, the total yield of the whole process 44.6%. (by machine translation)