4-Nitrobenzamidinium chloride

Base Information

• Chemical Name: 4-Nitrobenzamidinium chloride
• CAS No.: 15723-90-7
• Molecular Formula: C7H7N3O2 • HCl
• Molecular Weight: 201.612
• Hs Code.: 29049090
• Mol file: 15723-90-7.mol

Synonyms:4-nitrobenzamidinium chloride;SCHEMBL8999475

Chemical Property of 4-Nitrobenzamidinium chloride

Chemical Property:

• Appearance/Colour: Pale yellow crystalline solid
• Vapor Pressure: 0.000596mmHg at 25°C
• Melting Point: 286-288°C
• Boiling Point: 310.6 °C at 760 mmHg
• Flash Point: 141.6 °C
• PSA: 95.69000
• LogP: 3.00410
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: Methanol, Warm Water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.0305042
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Nitrobenzamidine Hydrochloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=[NH2+])N)[N+](=O)[O-].[Cl-]
• Uses: 4-Nitrobenzamidine Hydrochloride is used in the preparation of labelled Diminazene (D479550). 4-Nitrobenzamidine, Hydrochloride (cas# 15723-90-7) is a compound useful in organic synthesis.

Technology Process of 4-Nitrobenzamidinium chloride

There total 8 articles about 4-Nitrobenzamidinium chloride 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: 97.4%

4-nitrobenzonitrile (619-72-7) → 4-nitrobenzamidine hydrochloride (15723-90-7)

Guidance literature:

4-nitrobenzonitrile; With sodium methylate; In methanol; at 20 ℃; for 5h;

With ammonium chloride; In methanol; at 20 ℃; for 4h;

Reference yield: 93.0%

→ 4-nitrobenzamidine hydrochloride (15723-90-7)

Guidance literature:

Reference yield: 75.0%

C13H24LiN3O2Si2 → 4-nitrobenzamidine hydrochloride (15723-90-7)

Guidance literature:

With hydrogenchloride; at 0 ℃;

DOI:10.1016/0022-328X(87)80017-7

upstream raw materials:

4-nitrobenzonitrile

ethyl 4-nitrobenzenecarboximidoate hydrochloride

4-nitrobenzimidic acid methyl ester

4-nitrobenzaldehdye

Downstream raw materials:

p-aminobenzamidine

4-Nitro-N²-p-toluoyl-benzamidin

2-(p-nitrophenyl)-5,6-pentamethylenepyrimidin-4(3H)-one

6-Chloromethyl-2-(4-nitro-phenyl)-1H-pyrimidin-4-one

Refernces

• 1、 Cvejn, Daniel,Bures, Filip,Klimesova, Vera. "α-Amino acid-derived 2-phenylimidazoles with potential antimycobacterial activity". . p. 1681 - 1687,7. Retrieved 2012.
• 2、 -. "2-phenylpyrimidine compounds, preparation method and medical application". Paragraph 0046; 0047; 0048. . Retrieved 2018/06/15.
• 3、 Golubev, Pavel R.,Pankova, Alena S.,Kuznetsov, Mikhail A.. "Transition-metal-free approach to 4-ethynylpyrimidines via alkenynones". . p. 3614 - 3621. Retrieved 2014/06/23.