3-Chlorobenzaldehyde thiosemicarbazone

Base Information

• Chemical Name: 3-Chlorobenzaldehyde thiosemicarbazone
• CAS No.: 5706-79-6
• Molecular Formula: C8H8ClN3S
• Molecular Weight: 213.691
• DSSTox Substance ID: DTXSID30351799
• Mol file: 5706-79-6.mol

Synonyms:3-Chlorobenzaldehyde thiosemicarbazone;5706-79-6;DTXSID30351799;AKOS017263331;2-(3-chlorobenzylidene)hydrazine-1-carbothioamide

Chemical Property of 3-Chlorobenzaldehyde thiosemicarbazone

Chemical Property:

• Vapor Pressure: 3.04E-05mmHg at 25°C
• Refractive Index: 1.643
• Boiling Point: 355.8°C at 760 mmHg
• Flash Point: 169°C
• PSA: 87.04000
• Density: 1.36g/cm³
• LogP: 2.61870
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.0127461
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

3-ChlorobenzaldehydeThiosemicarbazone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C=NNC(=S)N
• Uses: 3-Chlorobenzaldehyde Thiosemicarbazone, is an amino acid derivative that can be used as a potential antitubercular (combats tuberculosis bacteria) drug.

Technology Process of 3-Chlorobenzaldehyde thiosemicarbazone

There total 3 articles about 3-Chlorobenzaldehyde thiosemicarbazone 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: 90.0%

thiosemicarbazide (79-19-6) + m-Chlorobenzaldehyde (587-04-2) → (3-chlorobenzylidenehydrazinyl)thiocarboxamide (5706-79-6)

Guidance literature:

In water; Heating;

DOI:10.1016/j.ejmech.2007.02.004

Reference yield: 82.0%

thiosemicarbazide hydrochloride (4346-94-5) + m-Chlorobenzaldehyde (587-04-2) → (3-chlorobenzylidenehydrazinyl)thiocarboxamide (5706-79-6)

Guidance literature:

With sodium acetate; In water; at 20 ℃;

DOI:10.1016/j.bmcl.2011.08.022

Reference yield:

→ (3-chlorobenzylidenehydrazinyl)thiocarboxamide (5706-79-6)

Guidance literature:

Saeure (I), m-Chlorbenzaldehyd-S-methylisothio-semicarbazon;

upstream raw materials:

thiosemicarbazide

m-Chlorobenzaldehyde

thiosemicarbazide hydrochloride

Downstream raw materials:

3-chloro-benzaldehyde (4-oxo-thiazolidin-2-ylidene)-hydrazone

2-amino-5-(m-chlorophenyl)-1,3,4-thiadiazole

3-{[1-(3-Chloro-phenyl)-meth-(E)-ylidene]-amino}-2-thioxo-imidazolidin-4-one

2-Chloro-5-(3-chloro-phenyl)-[1,3,4]thiadiazole