2-Hydrazinyl-5-nitrobenzoic acid

Base Information

• Chemical Name: 2-Hydrazinyl-5-nitrobenzoic acid
• CAS No.: 185556-56-3
• Molecular Formula: C7H7 N3 O4
• Molecular Weight: 197.15
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID70560969
• Wikidata: Q82444626
• Mol file: 185556-56-3.mol

Synonyms:185556-56-3;2-HYDRAZINYL-5-NITROBENZOIC ACID;2-Hydrazino-5-nitrobenzoic acid;BENZOICACID,2-HYDRAZINO-5-NITRO-;SCHEMBL6625749;DTXSID70560969;MFCD09263800;AKOS010144424

Chemical Property of 2-Hydrazinyl-5-nitrobenzoic acid

Chemical Property:

• PSA: 121.17000
• LogP: 1.87510
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 197.04365571
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

99%, ^*data from raw suppliers

2-Hydrazino-5-nitrobenzoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydrazinyl-5-nitrobenzoic acid

There total 1 articles about 2-Hydrazinyl-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: 81.0%

2-chloro-5-nitrobenzoic acid (2516-96-3) → 2-hydrazino-5-nitro-benzoic acid (185556-56-3)

Guidance literature:

2-chloro-5-nitrobenzoic acid; With hydrazine; In ethanol; at 100 ℃; for 3.5h;

With hydrogenchloride; water; In ethanol; pH=~ 5.0;

Reference yield: 69.5%

2-hydrazino-5-nitro-benzoic acid (185556-56-3) → 5-nitroindazolin-3-one (61346-19-8)

Guidance literature:

With hydrogenchloride; In water; at 150 ℃; for 2.75h; Heating / reflux;

Reference yield:

C21H26NO5P + 2-hydrazino-5-nitro-benzoic acid (185556-56-3) → C26H27N4O8P

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 25 ℃; for 16h;

DOI:10.1016/j.bmcl.2006.08.109

upstream raw materials:

2-chloro-5-nitrobenzoic acid

Downstream raw materials:

5-nitroindazolin-3-one