2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde

Base Information

• Chemical Name: 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde
• CAS No.: 175278-42-9
• Molecular Formula: C₁₄H₁₁NO₃S
• Molecular Weight: 273.312
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70384288
• Wikidata: Q82176307
• Mol file: 175278-42-9.mol

Synonyms:175278-42-9;2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde;5-Nitro-2-(p-tolylthio)benzaldehyde;2-[(4-Methylphenyl)sulfanyl]-5-nitrobenzenecarbaldehyde;2-[(4-methylphenyl)sulfanyl]-5-nitrobenzaldehyde;2-(4-methylphenyl)sulfanyl-5-nitrobenzaldehyde;Benzaldehyde,2-[(4-methylphenyl)thio]-5-nitro-;SCHEMBL6929731;DTXSID70384288;JS-011C;MFCD00173708;AKOS005072981;CS-0324149;FT-0610820;2-(4-methylphenyl)sulfanyl-5-nitro-benzaldehyde;5-nitro-2-[(4-methylphenyl)sulfanyl]benzaldehyde;A812059;AJ-797/43209459;J-517865

Chemical Property of 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde

Chemical Property:

• Vapor Pressure: 1.43E-07mmHg at 25°C
• Melting Point: 157 °C
• Refractive Index: 1.652
• Boiling Point: 429.2 °C at 760 mmHg
• Flash Point: 213.4 °C
• PSA: 88.19000
• Density: 1.33 g/cm³
• LogP: 4.39010
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 273.04596439
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

99%, ^*data from raw suppliers

2-[(4-Methylphenyl)sulfanyl]-5-nitrobenzenecarbaldehyde >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Technology Process of 2-[(4-Methylphenyl)thio]-5-nitrobenzaldehyde

There total 3 articles about 2-[(4-Methylphenyl)thio]-5-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:

para-thiocresol (106-45-6) + 2-chloro-5-nitrobenzaldehyde (6361-21-3) → 5-nitro-2-p-tolylsulfanyl-benzaldehyde (175278-42-9)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide; at 100 ℃; for 0.25h;

DOI:10.1016/S0968-0896(97)00174-0

Reference yield:

para-thiocresol (106-45-6) → 5-nitro-2-p-tolylsulfanyl-benzaldehyde (175278-42-9)

Guidance literature:

With pyridine;

DOI:10.1039/jr9570003818

Reference yield:

sodium p-thiocresolate (10486-08-5) + 2-chloro-5-nitrobenzaldehyde (6361-21-3) → 5-nitro-2-p-tolylsulfanyl-benzaldehyde (175278-42-9)

Guidance literature:

With alkaline aqueous ethanol;

upstream raw materials:

sodium p-thiocresolate

2-chloro-5-nitrobenzaldehyde

para-thiocresol

Downstream raw materials:

α,α-Dichlor-5-nitro-2-(toluol-4-mercapto)-toluol

α,α-Diacetoxy-5-nitro-2-(toluol-4-mercapto)-toluol

α,α-Diacetoxy-2-(toluol-4-sulfonyl)-5-nitro-toluol

α,α-Diacetoxy-5-nitro-2-(toluol-4-sulfinyl)-toluol

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