4-Nitrobenzaldehyde thiosemicarbazone

Base Information

• Chemical Name: 4-Nitrobenzaldehyde thiosemicarbazone
• CAS No.: 5470-48-4
• Molecular Formula: C8H8N4O2S
• Molecular Weight: 224.243
• NSC Number: 27486,19716,12993
• ChEMBL ID: CHEMBL193804
• Mol file: 5470-48-4.mol

Synonyms:4-Nitrobenzaldehyde thiosemicarbazone;Tyrosinase-IN-2;p-Nitrobenzaldehyde thiosemicarbazone;5470-48-4;[(E)-(4-nitrophenyl)methylideneamino]thiourea;NSC 12993;NSC 19716;NSC 27486;BRN 1976875;Benzaldehyde, p-nitro-, thiosemicarbazone;AI3-30801;CHEMBL193804;WLN: WNR D1UNMYZUS;4-07-00-00606 (Beilstein Handbook Reference);Hydrazinecarbothioamide, 2-((4-nitrophenyl)methylene)-;Hydrazinecarbothioamide, 2-[(4-nitrophenyl)methylene]-;SR-01000078542;MLS000720026;HSDCBIHJEGDMDO-BJMVGYQFSA-;NSC12993;NSC19716;NSC27486;BDBM50356191;NSC-12993;NSC-19716;NSC-27486;p-Nitrobenzaldehyde, thiosemicarbazone;AKOS000304455;NCGC00245820-01;180864-33-9;LS-25134;MS-23259;SMR000304555;HY-143449;[(E)-(4-nitrophenyl)methyleneamino]thiourea;CS-0437809;SR-01000078542-1;SR-01000078542-2;InChI=1/C8H8N4O2S/c9-8(15)11-10-5-6-1-3-7(4-2-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+

Chemical Property of 4-Nitrobenzaldehyde thiosemicarbazone

Chemical Property:

• Vapor Pressure: 8.65E-07mmHg at 25°C
• Boiling Point: 405.6°C at 760 mmHg
• Flash Point: 199.1°C
• PSA: 128.32000
• Density: 1.46g/cm³
• LogP: 2.37630
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 224.03679668
• Heavy Atom Count: 15
• Complexity: 268

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NNC(=S)N)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=CC=C1/C=N/NC(=S)N)[N+](=O)[O-]

Technology Process of 4-Nitrobenzaldehyde thiosemicarbazone

There total 4 articles about 4-Nitrobenzaldehyde 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: 98.0%

4-nitrobenzaldehdye (555-16-8) + thiosemicarbazide (79-19-6) → para-nitrobenzaldehyde thiosemicarbazone (5470-48-4)

Guidance literature:

In ethanol; water; Reflux;

DOI:10.1248/cpb.59.568 DOI:10.1248/cpb.59.1413

Reference yield: 75.0%

thiosemicarbazide hydrochloride (4346-94-5) + 4-nitrobenzaldehdye (555-16-8) → para-nitrobenzaldehyde thiosemicarbazone (5470-48-4)

Guidance literature:

With sodium acetate; In water; at 20 ℃;

DOI:10.1016/j.bmcl.2011.08.022

Reference yield:

4-nitrobenzaldehdye (555-16-8) + thiosemicarbazide (79-19-6) → C8H8N4O2S (5470-48-4)

Guidance literature:

With acetic acid; In methanol; at 80 ℃; for 3h;

DOI:10.5012/jkcs.2016.60.2.107

upstream raw materials:

4-nitrobenzaldehdye

thiosemicarbazide

thiosemicarbazide hydrochloride

Downstream raw materials:

5-(4-nitrophenyl)-1,3,4-thiadiazol-2-amine

(E)-2-(4-aminobenzylidene)hydrazinecarbothioamide

(E)-2((E)-(4-nitrobenzylidene)hydrazono)thiazolidine-4-one

4-nitro-benzaldehyde-(4,5-diphenyl-thiazol-2-ylhydrazone)

Refernces

• 1、 Ahmed, Junaid Uddin,Al-Macktuf, Abdullah,Haque, Md. Aminul,Islam, Md. Din,Nishino, Hiroshi,Rahman, Mohammad Mostafizur,Shah, Md. Shahazada. "Synthesis, antimicrobial and antioxidant evaluation with in silico studies of new thiazole Schiff base derivatives". . . Retrieved 2021/10/19.
• 2、 Sarhan, Mona O.,Abd El-Karim, Somaia S.,Anwar, Manal M.,Gouda, Raghda H.,Zaghary, Wafaa A.,Khedr, Mohammed A.. "Discovery of new coumarin-based lead with potential anticancer, cdk4 inhibition and selective radiotheranostic effect: Synthesis, 2d & 3d qsar, molecular dynamics, in vitro cytotoxicity, radioiodination, and biodistribution studies". . . Retrieved 2021/05/13.