4-(Cyclohexylthio)-3-nitrobenzaldehyde

Base Information

• Chemical Name: 4-(Cyclohexylthio)-3-nitrobenzaldehyde
• CAS No.: 270262-95-8
• Molecular Formula: C₁₃H₁₅NO₃S
• Molecular Weight: 265.333
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20381606
• Wikidata: Q82172523
• Mol file: 270262-95-8.mol

Synonyms:270262-95-8;4-(Cyclohexylthio)-3-nitrobenzaldehyde;4-(Cyclohexylsulfanyl)-3-nitrobenzenecarbaldehyde;4-cyclohexylsulfanyl-3-nitrobenzaldehyde;4-(cyclohexylsulfanyl)-3-nitrobenzaldehyde;DTXSID20381606;JS-168C;MFCD00098772;AKOS005073002;2-chloro-6-methyl-pyridine-3-carbonitrile;CS-0360162;FT-0616737;A818847;J-513710

Chemical Property of 4-(Cyclohexylthio)-3-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 5.41E-07mmHg at 25°C
• Melting Point: 98-99
• Boiling Point: 411.9°Cat760mmHg
• Flash Point: 202.9°C
• PSA: 88.19000
• Density: 1.26g/cm³
• LogP: 4.35530
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 265.07726451
• Heavy Atom Count: 18
• Complexity: 299

Purity/Quality:

98%min ^*data from raw suppliers

4-(Cyclohexylthio)-3-nitrobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)SC2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Technology Process of 4-(Cyclohexylthio)-3-nitrobenzaldehyde

There total 1 articles about 4-(Cyclohexylthio)-3-nitrobenzaldehyde 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:

Cyclohexanethiol (1569-69-3) → C13H15NO3S (270262-95-8)

Guidance literature:

In N,N-dimethyl-formamide; Alkaline conditions;

DOI:10.1021/cb4007562

Reference yield:

2-thioxo-4-thiazolidinone (141-84-4) + C13H15NO3S (270262-95-8) → C16H16N2O3S3 (1489284-63-0,298215-77-7)

Guidance literature:

With sodium acetate; acetic acid; Reflux;

DOI:10.1021/cb4007562

upstream raw materials:

Cyclohexanethiol

Downstream raw materials:

C₁₆H₁₆N₂O₃S₃

Refernces