2-Chloro-5-nitrobenzoic acid

Base Information

• Chemical Name: 2-Chloro-5-nitrobenzoic acid
• CAS No.: 2516-96-3
• Molecular Formula: C7H4ClNO4
• Molecular Weight: 201.566
• Hs Code.: H4ClNO4 MOL WT. 201.57
• European Community (EC) Number: 219-739-7
• NSC Number: 8441
• UNII: P27EEY2MW8
• DSSTox Substance ID: DTXSID9062485
• Nikkaji Number: J26.924G
• Wikidata: Q72455705
• ChEMBL ID: CHEMBL2179897
• Mol file: 2516-96-3.mol

Synonyms:2-chloro-5-nitrobenzoic acid

Chemical Property of 2-Chloro-5-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: light yellow to light yellow-green crystalline
• Vapor Pressure: 1.06E-05mmHg at 25°C
• Melting Point: 165-168 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 356.5 °C at 760 mmHg
• PKA: pK1: 2.17 (25°C)
• Flash Point: 169.4 °C
• PSA: 83.12000
• Density: 1.602 g/cm³
• LogP: 2.46960
• Storage Temp.: Store below +30°C.
• Solubility.: 3.6g/l
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 200.9828853
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-5-nitrobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N, Xi
• Hazard Codes: Xn,N,Xi
• Statements: 22-37/38-41-50-36/37/38
• Safety Statements: 26-39-61-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrobenzoic Acids
• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Technology Process of 2-Chloro-5-nitrobenzoic acid

There total 27 articles about 2-Chloro-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: 95.8%

ortho-chlorobenzoic acid (118-91-2) → 2-chloro-5-nitrobenzoic acid (2516-96-3)

Guidance literature:

With sulfuric acid; nitric acid; at -5 - 20 ℃; for 2h; Large scale;

Reference yield: 95.0%

1-chloro-4-nitro-2-(trichloromethyl)benzene (831-50-5) → 2-chloro-5-nitrobenzoic acid (2516-96-3)

Guidance literature:

With sulfuric acid; In water; at 65 - 95 ℃; for 3h; Temperature;

Reference yield:

ortho-chlorobenzoic acid (118-91-2) → 2-chloro-5-nitrobenzoic acid (2516-96-3) + 2-chloro-3-nitrobezoic acid (3970-35-2)

Guidance literature:

With nitric acid;

upstream raw materials:

2-chloro-5-nitro-benzamide

1-chloro-2-methyl-4-nitrobenzene

5-nitrosalicylic acid

2-chloro-5-nitrobenzaldehyde

Downstream raw materials:

2-piperidino-5-nitrobenzoic acid

2-(2-ethyl-phenoxy)-5-nitro-benzoic acid

2-(2-chloro-phenylsulfanyl)-5-nitro-benzoic acid

2-(2-acetylamino-thiazol-5-ylmercapto)-5-nitro-benzoic acid