2,4-Dichloro-5-nitrobenzoic acid

Base Information

• Chemical Name: 2,4-Dichloro-5-nitrobenzoic acid
• CAS No.: 19861-62-2
• Molecular Formula: C7H3Cl2NO4
• Molecular Weight: 236.011
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20355327
• Nikkaji Number: J62.029G
• Wikidata: Q82134144
• Mol file: 19861-62-2.mol

Synonyms:2,4-dichloro-5-nitrobenzoic acid;19861-62-2;Benzoic acid, 2,4-dichloro-5-nitro-;SCHEMBL613001;2,4-dichloro-5-nitrobenzoicacid;DTXSID20355327;TXZVRLLCMSPNOH-UHFFFAOYSA-N;5-nitro-2,4-dichlorobenzoic acid;BBL009509;MFCD00456403;MFCD25563231;STL062188;AKOS000114262;2,4-Dichloro-5-nitrophenylacetic acid;VS-02093;BB 0244014;CS-0157861;FT-0715178;D83023;EN300-191324;A879967;SR-01000195675;SR-01000195675-1

Chemical Property of 2,4-Dichloro-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 1.28E-06mmHg at 25°C
• Melting Point: 161-163 °C
• Boiling Point: 385.1oC at 760 mmHg
• PKA: 2.13±0.12(Predicted)
• Flash Point: 186.7oC
• PSA: 83.12000
• Density: 1.713g/cm3
• LogP: 3.12300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 234.9439130
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

99%, ^*data from raw suppliers

2,4-DICHLORO-5-NITRO-BENZOIC ACID AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)C(=O)O

Technology Process of 2,4-Dichloro-5-nitrobenzoic acid

There total 8 articles about 2,4-Dichloro-5-nitrobenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

2,4 dichlorobenzoic acid (50-84-0) → 2,4-dichloro-5-nitrobenzoic acid (19861-62-2)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2008.02.031

Reference yield:

sodium 2,4-dichloro-5-nitrobenzoate (197368-69-7) → 2,4-dichloro-5-nitrobenzoic acid (19861-62-2)

Guidance literature:

With hydrogenchloride; In water;

Reference yield:

2,4 dichlorobenzoic acid (50-84-0) → 2,4-dichloro-3-nitro-benzoic acid (39053-42-4) + 2,4-dichloro-5-nitrobenzoic acid (19861-62-2)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1002/hlca.19570400509

upstream raw materials:

2,4 dichlorobenzoic acid

1-(2,4-dichloro-5-nitro-phenyl)-ethanone

sulfuric acid

2,4-dichlorobenzotrichloride

Downstream raw materials:

(5-Chlor-4-nitro-2-carboxy-phenyl)-(4-methoxy-phenyl)-amin

3-nitro-4-chloro-N-(3,5-dimethoxyphenyl)anthranilic acid

5-amino-2,4-dichlorobenzoic acid

2,4-dichloro-N,N-dimethyl-5-nitrobenzamide

Refernces

• 1、 Sun, Lian-Qi,Zhu, Lei,Qian, Keduo,Qin, Bingjie,Huang, Li,Chen, Chin Ho,Lee, Kuo-Hsiung,Xie, Lan. "Design, synthesis, and preclinical evaluations of novel 4-substituted 1,5-diarylanilines as potent HIV-1 non-nucleoside reverse transcriptase inhibitor (NNRTI) drug candidates". . p. 7219 - 7229. Retrieved 2012/11/07.
• 2、 Senthilkumar, Palaniappan,Dinakaran, Murugesan,Yogeeswari, Perumal,Sriram, Dharmarajan,China, Arnab,Nagaraja, Valakunja. "Synthesis and antimycobacterial activities of novel 6-nitroquinolone-3-carboxylic acids". experimental part. p. 345 - 358. Retrieved 2009/05/09.