p-Chloroacetophenone thiosemicarbazone

Base Information

• Chemical Name: p-Chloroacetophenone thiosemicarbazone
• CAS No.: 7651-47-0
• Molecular Formula: C9H10ClN3S
• Molecular Weight: 227.718
• Hs Code.: 2930909090
• NSC Number: 705
• Nikkaji Number: J55.024H,J3.308.738A
• ChEMBL ID: CHEMBL310957
• Mol file: 7651-47-0.mol

Synonyms:p-Chloroacetophenone thiosemicarbazone;7651-47-0;NSC 705;[(Z)-1-(4-chlorophenyl)ethylideneamino]thiourea;BRN 2213843;AI3-23051;ACETOPHENONE, 4'-CHLORO-, THIOSEMICARBAZONE;4-07-00-00640 (Beilstein Handbook Reference);Hydrazinecarbothioamide, 2-(1-(4-chlorophenyl)ethylidene)-;Hydrazinecarbothioamide, 2-[1-(4-chlorophenyl)ethylidene]-;C9H10ClN3S;C9-H10-Cl-N3-S;4'-CHLOROACETOPHENONETHIOSEMICARBAZONE;WLN: SUYZMNUY1&R DG;CHEMBL310957;NSC705;NSC-705;p-Chlorophenyl(methyl)thiosemicarbazone;NCGC00335107-01;AB01327612-02;(E)-1-(4-Chlorophenyl)ethanone thiosemicarbazone

Chemical Property of p-Chloroacetophenone thiosemicarbazone

Chemical Property:

• Vapor Pressure: 4.84E-05mmHg at 25°C
• Boiling Point: 349°Cat760mmHg
• Flash Point: 164.9°C
• PSA: 82.50000
• Density: 1.32g/cm³
• LogP: 2.98840
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.0283962
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NNC(=S)N)C1=CC=C(C=C1)Cl
• Isomeric SMILES: C/C(=N/NC(=S)N)/C1=CC=C(C=C1)Cl

Technology Process of p-Chloroacetophenone thiosemicarbazone

There total 3 articles about p-Chloroacetophenone 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: 92.0%

para-chloroacetophenone (99-91-2) + thiosemicarbazide (79-19-6) → 4'-chloroacetophenone thiosemicarbazone (7651-47-0)

Guidance literature:

With hydrogenchloride; In methanol; water; at 27 ℃; for 6h;

DOI:10.1016/j.jorganchem.2009.09.010

Reference yield: 70.0%

thiosemicarbazide hydrochloride (4346-94-5) + para-chloroacetophenone (99-91-2) → 4'-chloroacetophenone thiosemicarbazone (7651-47-0)

Guidance literature:

With hydrogenchloride; In ethanol; water;

DOI:10.1007/s00044-012-0208-6

Reference yield: 58.0%

→ 4'-chloroacetophenone thiosemicarbazone (7651-47-0)

Guidance literature:

upstream raw materials:

para-chloroacetophenone

thiosemicarbazide

thiosemicarbazide hydrochloride

Downstream raw materials:

1-(4-chloro-phenyl)-ethanone (4-thiophen-2-yl-thiazol-2-yl)-hydrazone

1-(4-chloro-phenyl)-ethanone [4-(4-chloro-phenyl)-thiazol-2-yl]-hydrazone

1-(4-chloro-phenyl)-ethanone [4-(4-bromo-phenyl)-thiazol-2-yl]-hydrazone

1-(4-chloro-phenyl)-ethanone (4-naphthalen-2-yl-thiazol-2-yl)-hydrazone