2-Chloro-3,5-dinitrobenzoic acid

Base Information

• Chemical Name: 2-Chloro-3,5-dinitrobenzoic acid
• CAS No.: 2497-91-8
• Molecular Formula: C7H3ClN2O6
• Molecular Weight: 246.564
• Hs Code.: 2916399090
• European Community (EC) Number: 219-684-9
• NSC Number: 4538
• UNII: PWE56YK9ST
• DSSTox Substance ID: DTXSID20179686
• Nikkaji Number: J374.725E,J41.208B
• Wikidata: Q72449657
• Mol file: 2497-91-8.mol

Synonyms:2-carboxy-4,6-dinitrochlorobenzene;2-carboxy-4,6-dinitrochlorobenzene, monosodium salt;2-carboxy-4,6-dinitrochlorobenzene, potassium salt;2-chloro-3,5-dinitrobenzoic acid;CDNCB

Chemical Property of 2-Chloro-3,5-dinitrobenzoic acid

Chemical Property:

• Appearance/Colour: light beige granular powder
• Vapor Pressure: 2.12E-07mmHg at 25°C
• Melting Point: 196-199 °C
• Refractive Index: 1.6660 (estimate)
• Boiling Point: 408.3 °C at 760 mmHg
• PKA: 1.51±0.10(Predicted)
• Flash Point: 200.8 °C
• PSA: 128.94000
• Density: 1.791 g/cm³
• LogP: 2.90100
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 245.9679635
• Heavy Atom Count: 16
• Complexity: 324

Purity/Quality:

99.0% min ^*data from raw suppliers

2-Chloro-3- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi:Irritant
• Statements: 36/37/38
• Safety Statements: 26-37/39

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-])[N+](=O)[O-]

Technology Process of 2-Chloro-3,5-dinitrobenzoic acid

There total 8 articles about 2-Chloro-3,5-dinitrobenzoic 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: 90.0%

3,5-dinitrosalicylic acid (609-99-4) → 2-chloro-3,5-dinitrobenzoic acid (2497-91-8)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

Reference yield: 73.5%

ortho-chlorobenzoic acid (118-91-2) → 2-chloro-3,5-dinitrobenzoic acid (2497-91-8)

Guidance literature:

With fuming sulphuric acid; sulfuric acid; nitric acid; at 0 - 125 ℃; for 7h;

Reference yield:

2-chloro-5-nitrobenzoic acid (2516-96-3) → 2-chloro-3,5-dinitrobenzoic acid (2497-91-8)

Guidance literature:

With sulfuric acid; potassium nitrate; at 90 - 100 ℃;

upstream raw materials:

2-chloro-5-nitrobenzoic acid

3,5-dinitrosalicylic acid

2-chloro-3-nitrobezoic acid

ortho-chlorobenzoic acid

Downstream raw materials:

methyl 2-chloro-3,5-dinitrobenzoate

2-methoxy-3,5-dinitrobenzoic acid

2-<(4-Nitrophenyl)amino>-3,5-dinitrobenzoic acid

N-<2-Benzyl-thiazolyl-5>-anthranilsaeure

Refernces

• 1、 -. "INHIBITORS OF STEAROYL-COA DESATURASE". . . Retrieved 2009/06/27.
• 2、 Moodie, Roy B.,Sanderson, Andrew J.,Willmer, Richard. "Electrophilic Aromatic Substitution. Part 37. Products of Aromatic Nitrations of some Chloronitrobenzenes and Substituted Benzoic Acids in Solutions of Dinitrogen Pentaoxide and of Nitronium Salts in Nitric Acid". . p. 645 - 650. Retrieved 2007/10/02.