2-[(4-Chlorophenyl)sulfanyl]acetohydrazide

Base Information

• Chemical Name: 2-[(4-Chlorophenyl)sulfanyl]acetohydrazide
• CAS No.: 75150-40-2
• Molecular Formula: C8H9ClN2OS
• Molecular Weight: 216.691
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70352725
• Wikidata: Q82130020
• Mol file: 75150-40-2.mol

Synonyms:2-[(4-chlorophenyl)sulfanyl]acetohydrazide;75150-40-2;2-((4-Chlorophenyl)thio)acetohydrazide;2-(4-chlorophenyl)sulfanylacetohydrazide;2-(4-chlorophenylthio)acetohydrazide;[(4-Chlorophenyl)thio]acetic acid hydrazide;2-[(4-Chlorophenyl)thio]acetohydrazide;2-(4-chlorophenyl)sulfanylethanehydrazide;SCHEMBL2321355;DTXSID70352725;JS-046C;HMS1723K16;CS-B1573;MFCD01176459;STL455317;AKOS000116740;FT-0681114;EN300-03829;A915198;AE-641/40262186;SR-01000035769;J-505239;SR-01000035769-1;Z56853741;8MN

Chemical Property of 2-[(4-Chlorophenyl)sulfanyl]acetohydrazide

Chemical Property:

• Vapor Pressure: 3.05E-07mmHg at 25°C
• Melting Point: 103-104 °C
• Refractive Index: 1.636
• Boiling Point: 419.4 °C at 760 mmHg
• PKA: 12.13±0.37(Predicted)
• Flash Point: 207.4 °C
• PSA: 80.42000
• Density: 1.38 g/cm³
• LogP: 2.51320
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.0124118
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

2-[(4-Chlorophenyl)sulfanyl]acetohydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SCC(=O)NN)Cl

Technology Process of 2-[(4-Chlorophenyl)sulfanyl]acetohydrazide

There total 3 articles about 2-[(4-Chlorophenyl)sulfanyl]acetohydrazide 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:

chloroacetic acid ethyl ester (105-39-5) + p-Chlorothiophenol (106-54-7) → 2-[(4-chlorophenyl)sulfanyl]acetohydrazide (75150-40-2)

Guidance literature:

With potassium carbonate; hydrazine hydrate; Multistep reaction; 1.) acetone, 2.) ethanol, reflux;

DOI:10.1002/ardp.19823150406

Reference yield:

ethyl 2-(p-chlorophenylthio)acetate (52377-68-1) → 2-[(4-chlorophenyl)sulfanyl]acetohydrazide (75150-40-2)

Guidance literature:

With hydrazine hydrate; Reflux;

DOI:10.1080/10426507.2020.1762194

Reference yield:

p-Chlorothiophenol (106-54-7) → 2-[(4-chlorophenyl)sulfanyl]acetohydrazide (75150-40-2)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetonitrile / Reflux

2: hydrazine hydrate / Reflux

With potassium carbonate; hydrazine hydrate; In acetonitrile;

DOI:10.1080/10426507.2020.1762194

upstream raw materials:

chloroacetic acid ethyl ester

p-Chlorothiophenol

ethyl 2-(p-chlorophenylthio)acetate

Downstream raw materials:

N-1-(4'-chlorophenylthioacetyl)-N-4-(4-methylphenyl)thiosemicarbazide

C₁₅H₁₄ClN₃OS₂

C₁₅H₁₃Cl₂N₃OS₂

C₁₆H₁₆ClN₃O₂S₂

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