2,5-Dichloro-3-nitrobenzoic acid

Base Information

• Chemical Name: 2,5-Dichloro-3-nitrobenzoic acid
• CAS No.: 88-86-8
• Molecular Formula: C7H3 Cl2 N O4
• Molecular Weight: 236.011
• Hs Code.: 2916399090
• European Community (EC) Number: 201-862-2
• UNII: 5RXK12D272
• DSSTox Substance ID: DTXSID3041372
• Nikkaji Number: J4.295A
• Wikidata: Q27262789
• ChEMBL ID: CHEMBL2260701
• Mol file: 88-86-8.mol

Synonyms:2,5-Dichloro-3-nitrobenzoic acid;88-86-8;DINOBEN;Benzoic acid, 2,5-dichloro-3-nitro-;3-Nitro-2,5-dichlorobenzoic acid;Caswell No. 312;C7H3Cl2NO4;EINECS 201-862-2;Kyselina 2,5-dichlor-3-nitrobenzoova;EPA Pesticide Chemical Code 028101;BRN 1976119;UNII-5RXK12D272;DTXSID3041372;Kyselina 2,5-dichlor-3-nitrobenzoova [Czech];5RXK12D272;MFCD00014691;2-09-00-00276 (Beilstein Handbook Reference);2,5-dichloro-3-nitro-benzoic acid;2,5-Dichloro-3-nitrobenzoicacid;dinoben:2,5-dichloro-3-nitrobenzoic acid;2,5-dichlor-3-nitrobenzoesyre;SCHEMBL1494608;C7-H3-Cl2-N-O4;CHEMBL2260701;DTXCID1021372;Tox21_300775;STK377468;AKOS005449158;FS-4981;CAS-88-86-8;NCGC00248165-01;NCGC00254679-01;2,5-Dichloro-3-nitrobenzoic acid, 98%;AC-19976;LS-36886;SY078072;CS-0119810;FT-0610288;C13343;Q27262789

Chemical Property of 2,5-Dichloro-3-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 5.11E-06mmHg at 25°C
• Melting Point: 216-220 °C(lit.)
• Boiling Point: 366.5 °C at 760 mmHg
• PKA: 1.56±0.20(Predicted)
• Flash Point: 175.5 °C
• PSA: 83.12000
• Density: 1.713 g/cm³
• LogP: 3.12300
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• 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:

98%,99%, ^*data from raw suppliers

2,5-Dichloro-3-nitrobenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)Cl)[N+](=O)[O-])Cl
• Uses: 2,5-Dichloro-3-nitrobenzoic Acid is used in process for the preparation of organic halides.

Technology Process of 2,5-Dichloro-3-nitrobenzoic acid

There total 6 articles about 2,5-Dichloro-3-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: 88.5%

2,5-dichloro-3-nitro-terephthalic acid (77350-06-2) → 2,5-dichloro-3-nitrobenzoic acid (88-86-8)

Guidance literature:

In sodium hydrogencarbonate; dimethyl sulfoxide;

Reference yield: 65.0%

2,5-dichlorobenzoic acid (50-79-3) → 2,5-dichloro-3-nitrobenzoic acid (88-86-8)

Guidance literature:

2,5-dichlorobenzoic acid; With sulfuric acid; at -10 ℃; for 0.166667h;

With nitric acid; at -10 ℃; for 2h;

Reference yield:

2,5-dichloro-3-nitrobenzaldehyde (355133-69-6) → 2,5-dichloro-3-nitrobenzoic acid (88-86-8)

Guidance literature:

With alkaline permanganate;

upstream raw materials:

2,5-dichloro-3-nitrobenzaldehyde

2,5-dichloro-benzaldehyde

2,5-dichloro-3-nitro-terephthalic acid

2,5-dichlorobenzoic acid

Downstream raw materials:

N-phenyl-5-chloro-3-nitroanthranilic acid

2,5-dichloro-3-nitrobenzaldehyde

(5-chloro-2-(4-fluoro-2-(hydroxymethyl)phenylthio)-3-nitrophenyl)methanol

(2-chloro-8-fluorodibenzo[b,d]thiophene-4,6-diyl)dimethanol

Refernces

• 1、 -. "Compounds and Compositions as Protein Kinase Inhibitors". . . Retrieved 2011/04/14.
• 2、 -. "Process for preparing 2,5-dichloro-3-nitrobenzoic acid". . . Retrieved 2008/06/13.