106809-14-7

Basic information

• Product Name: 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid
• Synonyms: TIMTEC-BB SBB003130;2,4-DICHLORO-3-NITRO-5-FLUORO BENZOIC ACID;2,4-DICHLORO-5-FLUORO-3-NITROBENZOIC ACID;2,4-difluoro-5-fluoro-3-nitro benzoic acid;2,4-Dichloro-3-nitro-5-fluorob;2,4-Dichloro-3-hitro-5-fluorobenzoicacid;2,4-Dichloro-5-fluoro-3-nitrobenzoic acid,99%;2,4-dichloro-5-fluoro-3-cyanobenzoic acid
• CAS NO: 106809-14-7
• Molecular Formula: C₇H₂Cl₂FNO₄
• Molecular Weight: 254
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzoic acid;C7;Carbonyl Compounds;Carboxylic Acids
• Mol File: 106809-14-7.mol
• Article Data: 7

Chemical Properties

• Melting Point: 193-197 °C(lit.)
• Boiling Point: 390.4 °C at 760 mmHg
• Flash Point: 189.9 °C
• Appearance: white to light yellow crystal powder
• Density: 1.7139 (estimate)
• Vapor Pressure: 8.54E-07mmHg at 25°C
• Storage Temp.: 2-8°C
• PKA: 1.51±0.24(Predicted)
• CAS DataBase Reference: 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid(106809-14-7)
• EPA Substance Registry System: 2,4-Dichloro-5-fluoro-3-nitrobenzoic acid(106809-14-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 106809-14-7(Hazardous Substances Data)

Usage

Chemical Properties

white to light yellow crystal powder

Uses

2,4-Dichloro-5-fluoro-3-nitrobenzoic acid may be used to synthesize:ethyl 3-(N,N-dimethylamino)-2-(2,4-dichloro-5-fluoro-3-nitrobenzoyl)acrylate7-chloro-1-cyclopropyl-6-fluoro-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidethyl-3-(N,N-dimethylamino)-2-(2,4-dichloro-5-fluoro-3-nitrobenzoyl) acrylatesubstituted 4(1H)-oxoquinoline-3-carboxylic acid

Synthesis Reference(s)

Journal of Heterocyclic Chemistry, 25, p. 927, 1988 DOI: 10.1002/jhet.5570250343

General Description

2,4-Dichloro-5-fluoro-3-nitrobenzoic acid can be prepared from 2,4-dichloro-5-fluorobenzoic acid.

InChI:InChI=1/C7H2Cl2FNO4/c8-4-2(7(12)13)1-3(10)5(9)6(4)11(14)15/h1H,(H,12,13)/p-1

Upstream product

• 86522-89-6 2,4-dichloro-5-fluoro-benzoic acid 
• 7664-93-9 sulfuric acid 
• 7732-18-5 water 
• 704-10-9 2,4-dichloro-5-fluoroacetophenone 

Downstream Products

• 138998-63-7 ethyl 2-[(2,4-dichloro-5-fluoro-3-nitrophenyl)carbonyl]-3-(dimethylamino)prop-2-enoate 
• 1153285-12-1 methyl 2,4-dichloro-5-fluoro-3-nitrobenzoate 

Relevant articles and documents

A 2,4-dichloro-5-fluoro-3-nitro benzoic acid preparation method

The invention relates to a preparation method of 2, 4-dichloro-5-fluoro-3-nitrobenzoic acid and belongs to the technical field of chemical engineering, and particularly belongs to the field of chemical synthesis. The preparation method of 2, 4-dichloro-5-

Defluorinated sparfloxacin as a new photoproduct identified by liquid chromatography coupled with UV detection and tandem mass spectrometry

Photodegradation of sparfloxacin was observed by means of high-pressure liquid chromatography with UV detection and liquid chromatography coupled with UV detection and tandem mass spectrometry (LC-MS/MS). Three products were detected. Comparison with an independently synthesized derivative of sparfloxacin revealed the structure of one product which is believed to be 8- desfluorosparfloxacin. The second product is likely to be formed by the splitting off of a fluorine and a cyclopropyl ring. Thus, photodefluorination of quinolone antibacterial agents is found and proved for the first time by LC-MS/MS.

4-Hydroxy-quinoline-3-carboxylic

A process for the preparation of a compound of the formula STR1 in which Y is a nitrile group, an ester group COOR1 or an acid amide CONR2 R3, R1, R2 and R3 each independently is hydrogen or C1 -C4 -alkyl, and R3 may also be phenyl, and X2, X3, X4 and X5 each independently is hydrogen, halogen, nitro, cyano, alkyl having 1-3 carbon atoms, alkoxy having 1-3 carbon atoms, alkylmercapto having 1-3 carbon atoms, alkylsulphonyl having 1-3 carbon atoms, or a phenylsulphonyl group which is optionally substituted in the aryl radical, comprising reacting an aminoacrylate of the formula in which X1 is halogen, a nitro group, an alkoxy, alkoxy, alkylmercapto or alkylsulphonyl group having 1-3 carbon atoms in each case, or an arylsulphonyl group, W is hydrogen or a --CH2 CH2 Z radical, Z is is a nitrile group, an ester group COOR4 or an acid amide group CONR5 R6, and R4, R5 and R6 each independently is hydrogen or C1 -C4 -alkyl, and R5 may also be phenyl, with an acid acceptor in an aprotic solvent. Some of the reactants are new, as are the products which are intermediates for antibacterially active 1-alkyl-4-quinolone-3-carboxylic acids.