4-Chlorobenzamidrazone

Base Information

• Chemical Name: 4-Chlorobenzamidrazone
• CAS No.: 36286-75-6
• Molecular Formula: C7H8ClN3
• Molecular Weight: 169.61
• DSSTox Substance ID: DTXSID80384512
• Nikkaji Number: J2.573.395I
• Mol file: 36286-75-6.mol

Synonyms:4-chlorobenzamidrazone;36286-75-6;N'-amino-4-chlorobenzenecarboximidamide;4-Chlorobenzamide hydrazone;DTXSID80384512;YDLIPQYFLCGAII-UHFFFAOYSA-N;4-chloro-benzenecarboximidic hydrazide;AKOS010598294;4-CHLORO-BENZENECARBOXIMIDICACID,HYDRAZIDE

Chemical Property of 4-Chlorobenzamidrazone

Chemical Property:

• Vapor Pressure: 0.000354mmHg at 25°C
• Melting Point: 89-92 °C
• Refractive Index: 1.622
• Boiling Point: 318.7 °C at 760 mmHg
• PKA: 8.09±0.50(Predicted)
• Flash Point: 146.6 °C
• PSA: 61.90000
• Density: 1.36 g/cm³
• LogP: 2.31960
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 169.0406750
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-benzenecarboximidic acid,Hydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=NN)N)Cl

Technology Process of 4-Chlorobenzamidrazone

There total 2 articles about 4-Chlorobenzamidrazone 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: 67.0%

4-Cyanochlorobenzene (623-03-0) + ethanol (64-17-5) → 4-chlorobenzohydrazonamide (36286-75-6)

Guidance literature:

4-Cyanochlorobenzene; ethanol; With hydrogenchloride; at 0 - 20 ℃;

With hydrazine hydrate; In ethanol; at 0 ℃; for 48h;

DOI:10.1135/cccc20030965

Reference yield:

→ 4-chlorobenzamidrazone (36286-75-6)

Guidance literature:

entspr. freies Imidat, Alkohol, Hydrazinhydrat;

DOI:10.1021/jm00215a022

Reference yield: 84.0%

4-chlorobenzohydrazonamide (36286-75-6) + Benzoylformic acid (611-73-4) → 3-(4-Chloro-phenyl)-6-phenyl-2H-[1,2,4]triazin-5-one (126542-15-2)

Guidance literature:

In methanol; for 16h; Ambient temperature;

upstream raw materials:

4-Cyanochlorobenzene

ethanol

Downstream raw materials:

3-(p-chlorophenyl)phenanthro[9,10-e][1,2,4]triazine

3-(4-chlorophenyl)-5-phenyl-1,2,4-triazine

6-Amino-3-(4-chlorphenyl)-1,2,4-triazin-5(2H)-on

3-(4-Chloro-phenyl)-5-oxo-2,5-dihydro-[1,2,4]triazine-6-carboxylic acid methyl ester