4-Chloro-2-nitrobenzoic acid

Base Information

• Chemical Name: 4-Chloro-2-nitrobenzoic acid
• CAS No.: 6280-88-2
• Molecular Formula: C7H4ClNO4
• Molecular Weight: 201.566
• Hs Code.: 29163900
• European Community (EC) Number: 228-483-5
• NSC Number: 6158
• DSSTox Substance ID: DTXSID80211899
• Nikkaji Number: J169.156B,J2.383.430H
• Wikidata: Q72455727
• Mol file: 6280-88-2.mol

Synonyms:4-Chloro-2-nitrobenzoic acid;6280-88-2;Benzoic acid, 4-chloro-2-nitro-;4-Chloro-2-nitrobenzoicacid;2-Nitro-4-chlorobenzoic acid;4-Chloro-2-nitro-benzoic acid;MFCD00007214;NSC 6158;EINECS 228-483-5;SCHEMBL535327;DTXSID80211899;NSC6158;2-Nitro-4-chlorobenzoic acid anion;BCP31115;MFCD0007214;NSC-6158;STL164338;4-Chloro-2-nitrobenzoic acid, 97%;AKOS000118859;AKOS007930284;AKOS025212454;CS-W015545;PS-4567;AC-10956;SY001502;A8678;AM20060472;FT-0618039;EN300-19595;A22514;W-104957;Z104474392;2-Nitro-4-chlorobenzenemethanol;(4-chloro-2-nitrophenyl)methanol

Chemical Property of 4-Chloro-2-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: light yellow to light yellow-green crystalline
• Vapor Pressure: 1.03E-05mmHg at 25°C
• Melting Point: 141-143 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 357 °C at 760 mmHg
• PKA: 1.97±0.25(Predicted)
• Flash Point: 169.7 °C
• PSA: 83.12000
• Density: 1.602 g/cm³
• LogP: 2.46960
• Storage Temp.: Store below +30°C.
• Solubility.: 5.3g/l
• Water Solubility.: 0.53 g/100 mL (15 ºC)
• XLogP3: 2.1
• 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:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)O

Technology Process of 4-Chloro-2-nitrobenzoic acid

There total 12 articles about 4-Chloro-2-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:

para-chlorobenzoic acid (74-11-3) → 4-chloro-2-nitro-benzoic acid (6280-88-2)

Guidance literature:

With nitric acid; In water; at 60 ℃; for 6h; Cooling with ice;

DOI:10.1016/j.ejmech.2017.11.016

Reference yield:

4-chloro-2-nitrobenzonitrile (34662-32-3) → 4-chloro-2-nitro-benzoic acid (6280-88-2)

Guidance literature:

With sulfuric acid;

Reference yield:

4-Chloro-2-nitroaniline (89-63-4) → 4-chloro-2-nitro-benzoic acid (6280-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: durch Austausch von NH₂ gegen CN nach Sandmeyer

2: concentrated sulfuric acid

With sulfuric acid;

upstream raw materials:

4-chloro-2-nitrobenzonitrile

4-chloro-2-nitrotoluene

4-chloro-1-ethyl-2-nitrobenzene

4-chloro-2-nitrobenzoic amide

Downstream raw materials:

methyl 4-chloro-2-nitrobenzoate

2-amino-4-chloro-N-(2-chloro-pyridin-3-yl)-benzamide

4-chloro-N-(2-chloro-pyridin-3-yl)-2-nitro-benzamide

(4-chloro-2-nitrophenyl)methanol

Refernces

• 1、 -. "INHIBITORS OF STEAROYL-COA DESATURASE". . . Retrieved 2009/06/27.