N'-amino-3-nitrobenzenecarboximidamide

Base Information

• Chemical Name: N'-amino-3-nitrobenzenecarboximidamide
• CAS No.: 60666-23-1
• Molecular Formula: C7H8N4O2
• Molecular Weight: 180.166
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID80394772
• Mol file: 60666-23-1.mol

Synonyms:N'-amino-3-nitrobenzenecarboximidamide;60666-23-1;3-Nitro-benzenecarboximidic acid,hydrazide;3-Nitrobenzimidohydrazide;3-nitrobenzenecarbohydrazonamide;3-nitro benzimidic acid hydrazide;DTXSID80394772;WRELWPPFMNBQOE-UHFFFAOYSA-N;AKOS010600760;FT-0692249

Chemical Property of N'-amino-3-nitrobenzenecarboximidamide

Chemical Property:

• Vapor Pressure: 5.08E-06mmHg at 25°C
• Refractive Index: 1.666
• Boiling Point: 381.4°C at 760 mmHg
• Flash Point: 184.5°C
• PSA: 107.72000
• Density: 1.49g/cm³
• LogP: 2.09760
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 180.06472551
• Heavy Atom Count: 13
• Complexity: 223

Purity/Quality:

99% ^*data from raw suppliers

3-NITRO-BENZENECARBOXIMIDIC ACID, HYDRAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N'-amino-3-nitrobenzenecarboximidamide

There total 1 articles about N'-amino-3-nitrobenzenecarboximidamide 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: 93.0%

ethyl 3-nitrobenzenecarboximidate (831-65-2) → 3-nitrobenzenecarboximidohydrazide (60666-23-1)

Guidance literature:

With hydrazine hydrate; In isopropyl alcohol; at 45 ℃; for 7h;

Reference yield: 89.0%

indan-1,2,3-trione hydrate (485-47-2) + 3-nitrobenzenecarboximidohydrazide (60666-23-1) → 3-(3-nitrophenyl)-9H-indeno[1,2-e] [1,2,4]triazin-9-one

Guidance literature:

In ethanol; for 0.5h; Heating;

DOI:10.1021/jm070728r

Reference yield: 87.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 3-nitrobenzenecarboximidohydrazide (60666-23-1) → 3-(3-nitrophenyl)-5H-1,2,4-triazino<5,6-b>indole (84831-91-4)

Guidance literature:

In acetic acid; for 20h; Heating;

upstream raw materials:

ethyl 3-nitrobenzenecarboximidate

Downstream raw materials:

5,6,7,8-tetrahydro-5,9,9-trimethyl-3-(3-nitrophenyl)-5,8-methano-1,2,4-benzotriazine

5,6,7,8-tetrahydro-8,9,9-trimethyl-3-(3-nitrophenyl)-5,8-methano-1,2,4-benzotriazine

5,7-bis(1,1-dimethylethyl)-3-(3-nitrophenyl)-1,2,4-benzotriazine

6,7-dihydro-5-methyl-3-(3-nitrophenyl)-5H-cyclropenta-1,2,4-triazine