2-Bromo-5-nitrobenzoic acid

Base Information

• Chemical Name: 2-Bromo-5-nitrobenzoic acid
• CAS No.: 943-14-6
• Molecular Formula: C7H4BrNO4
• Molecular Weight: 246.017
• Hs Code.: 29163990
• European Community (EC) Number: 619-009-1
• NSC Number: 52211
• DSSTox Substance ID: DTXSID40287691
• Nikkaji Number: J1.031.463A
• Wikidata: Q72448517
• Mol file: 943-14-6.mol

Synonyms:2-Bromo-5-nitrobenzoic acid;943-14-6;Benzoic acid, 2-bromo-5-nitro-;MFCD00134558;2-bromo-5-nitro benzoic acid;2-Bromo-5-nitrobenzoicacid;2-Bromo-5-nitrobenzic acid;NSC52211;SCHEMBL136718;2-Bromo-5-nitro-benzoic acid;DTXSID40287691;2-Bromo-5-nitrobenzoic acid, 98%;BR1601;NSC 52211;NSC-52211;STK498191;AKOS000283684;CS-W002414;AC-23548;BP-13028;CS-11276;SY013438;AM20060087;B3841;FT-0611496;EN300-59031;A20200;AO-801/41077413;J-508409;Z277540502;2-Bromo-5-nitrobenzoic Acid

Chemical Property of 2-Bromo-5-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: light beige to pale brown powder
• Vapor Pressure: 3.83E-06mmHg at 25°C
• Melting Point: 180-181 °C(lit.)
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 370.453 °C at 760 mmHg
• PKA: 2.15±0.10(Predicted)
• Flash Point: 177.844 °C
• PSA: 83.12000
• Density: 1.893 g/cm³
• LogP: 2.57870
• Solubility.: Chloroform, Methanol
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 244.93237
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Br
• Uses: 2-Bromo-5-nitrobenzoic acid may be used in the preparation of 2-bromo-5-nitrobenzophenone.

Technology Process of 2-Bromo-5-nitrobenzoic acid

There total 7 articles about 2-Bromo-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: 96.0%

2-bromobenzoic-acid (88-65-3) → 2-bromo-5-nitrobenzoic acid (943-14-6)

Guidance literature:

With sulfuric acid; nitric acid; at 5 ℃; for 1h;

DOI:10.1016/j.tetlet.2012.09.016

Reference yield:

2-bromobenzoic-acid (88-65-3) → 2-bromo-3-nitro-benzoic acid (573-54-6) + 2-bromo-5-nitrobenzoic acid (943-14-6)

Guidance literature:

bei der Nitrierung;

Reference yield:

2-bromo-5-nitrotoluene (7149-70-4) → 2-bromo-5-nitrobenzoic acid (943-14-6)

Guidance literature:

With nitric acid; at 130 ℃; im Druckrohr;

upstream raw materials:

2-bromophenyl methyl ketone

2-bromo-5-nitrotoluene

2-bromobenzoic-acid

sulfuric acid

Downstream raw materials:

NPB

2-diazo-1-(2-bromo-5-nitrophenyl)ethan-1-one

5-acetamido-2-bromobenzoic acid

4-nitro-aniline

Refernces

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