2-Chloro-3-nitrobenzoic acid

Base Information

• Chemical Name: 2-Chloro-3-nitrobenzoic acid
• CAS No.: 3970-35-2
• Molecular Formula: C7H4ClNO4
• Molecular Weight: 201.566
• Hs Code.: 29163990
• European Community (EC) Number: 223-590-3
• NSC Number: 92742
• UNII: KG8W66PX35
• DSSTox Substance ID: DTXSID30192785
• Nikkaji Number: J193G
• Wikidata: Q72455713
• Mol file: 3970-35-2.mol

Synonyms:2-CHLORO-3-NITROBENZOIC ACID;3970-35-2;Benzoic acid, 2-chloro-3-nitro-;2-chloro-3-nitrobenzoicacid;MFCD00007069;2-Chloro-3-nitro-benzoic acid;2-chloro-3-carboxynitrobenzene;KG8W66PX35;EINECS 223-590-3;NSC 92742;NSC-92742;NSC92742;Nitrochlorbenzoesaure;UNII-KG8W66PX35;2-chloro-3-nitrobenzic acid;2-chloro-3-nitrobezoic acid;3-Nitro-2-chlorobenzoic acid;SCHEMBL309038;SCHEMBL8263377;2-chloro-3-carboxy-nitrobenzene;2-Chloro-3-Nitro Benzoic Acid;DTXSID30192785;BCP06453;CL8035;2-Chloro-3-nitrobenzoic acid, 99%;AKOS007930613;AC-2797;CS-W009146;GS-3205;AC-25995;SY002946;MESALAZINE IMPURITY Q [EP IMPURITY];A6628;AM20050231;C2333;FT-0611733;EN300-50857;W-106409

Chemical Property of 2-Chloro-3-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 8.27E-06mmHg at 25°C
• Melting Point: 183-187 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 359.9 °C at 760 mmHg
• PKA: pK1: 2.02 (25°C)
• Flash Point: 171.5 °C
• PSA: 83.12000
• Density: 1.602 g/cm³
• LogP: 2.46960
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• 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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-37/38-36
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
• Uses: 2-Chloro-3-nitrobenzoic acid is used in a microwave-promoted Ulmann condensation with 2-aminopyridines. 2-Chloro-3-nitrobenzoic acid was used as reagent during the synthesis of new biprivileged molecular scaffolds of tetracyclic indolo-benzodiazepines and indolo-quinoxalines. It was used in a microwave-promoted Ulmann condensation with 2-aminopyridines.

Technology Process of 2-Chloro-3-nitrobenzoic acid

There total 12 articles about 2-Chloro-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:

3-nitroanthranilic acid (606-18-8) → 2-chloro-3-nitrobezoic acid (3970-35-2)

Guidance literature:

With hydrogen; palladium/active carbon; In methanol; for 18h; under 3102.97 Torr;

Reference yield:

2-chloro-3-nitrotoluene (3970-40-9) → 2-chloro-3-nitrobezoic acid (3970-35-2)

Guidance literature:

With nitric acid;

Reference yield:

→ 2-chloro-3-nitrobezoic acid (3970-35-2)

Guidance literature:

With chlorine;

upstream raw materials:

3-nitro-2-chlorobenzonitrile

2-chloro-3-nitrotoluene

ortho-chlorobenzoic acid

anhydro-2-hydroxymercuri-3-nitrobenzoic acid

Downstream raw materials:

2-chloro-3-nitrobenzoic acid ethylamide

2-chloro-3-nitrobenzamide

2-[(2,2-dimethyl-2H-chromen-5-yl)amino]-3-nitrobenzoic acid

2-chloro-3-nitro-benzoyl chloride

Refernces

• 1、 -. "Nicotinamide derivatives useful as PDE4 inhibitors". Page 17-18. . Retrieved 2010/02/10.
• 2、 -. "Process for the production of nitro derivatives of aromatic compounds". . . Retrieved 2008/06/13.