Ethanol, 2-[(4-nitrophenyl)thio]-

Base Information

• Chemical Name: Ethanol, 2-[(4-nitrophenyl)thio]-
• CAS No.: 13287-76-8
• Molecular Formula: C8H9NO3S
• Molecular Weight: 199.23
• Hs Code.: 2930909090
• European Community (EC) Number: 603-683-9
• DSSTox Substance ID: DTXSID1065398
• Nikkaji Number: J31.149I
• Wikidata: Q72484175
• ChEMBL ID: CHEMBL127940
• Mol file: 13287-76-8.mol

Synonyms:13287-76-8;2-Hydroxyethyl 4-nitrophenyl sulfide;2-((4-Nitrophenyl)thio)ethanol;Ethanol, 2-[(4-nitrophenyl)thio]-;2-(4-nitrophenyl)sulfanylethanol;2-[(4-Nitrophenyl)sulfanyl]ethanol;2-(4-Nitrophenylthio)ethanol;2-[(4-nitrophenyl)sulfanyl]ethan-1-ol;Ethanol, 2-((4-nitrophenyl)thio)-;Ethanol,2-[(4-nitrophenyl)thio]-;CHEMBL127940;SCHEMBL5657641;DTXSID1065398;2-(p-Nitrophenylmercapto)ethanol;AMY24796;MFCD00060548;AKOS008923095;2-[(4-Nitrophenyl)sulfanyl]ethanol #;FS-4635;2-[(4-Nitrophenyl)sulfanyl]-1-ethan-ol;CS-0233177;FT-0636864;EN300-131505;J-006240;Z31206337

Chemical Property of Ethanol, 2-[(4-nitrophenyl)thio]-

Chemical Property:

• Vapor Pressure: 3.92E-06mmHg at 25°C
• Melting Point: 60 °C
• Refractive Index: 1.621
• Boiling Point: 370.2 °C at 760 mmHg
• PKA: 14.25±0.10(Predicted)
• Flash Point: 177.7 °C
• PSA: 91.35000
• Density: 1.35 g/cm³
• LogP: 2.20240
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 199.03031432
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxyethyl 4-nitrophenyl sulfide 98% ^*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: C1=CC(=CC=C1[N+](=O)[O-])SCCO

Technology Process of Ethanol, 2-[(4-nitrophenyl)thio]-

There total 15 articles about Ethanol, 2-[(4-nitrophenyl)thio]- 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: 100.0%

4-chlorobenzonitrile (100-00-5) + 2-hydroxyethanethiol (60-24-2) → 2-(p-nitrophenylthio)ethanol (13287-76-8)

Guidance literature:

With potassium hydroxide; at 70 ℃;

DOI:10.1016/S0040-4039(02)00809-2

Reference yield: 97.0%

→ 2-(p-nitrophenylthio)ethanol (13287-76-8)

Guidance literature:

Reference yield: 96.0%

→ 2-(p-nitrophenylthio)ethanol (13287-76-8) + 4-(2'-Hydroxyethylsulphonyl)aniline (5246-58-2)

Guidance literature:

upstream raw materials:

para-nitrobenzenethiol

2-chloro-ethanol

4-nitrobenzenediazonium chloride

2-hydroxyethanethiol

Downstream raw materials:

N-{9-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-[2-(4-nitro-phenylsulfanyl)-ethoxy]-9H-purin-2-yl}-isobutyramide

L-Leucin-<2-(4-nitrophenylmercapto)-ethylester>

1-(4-nitro-phenylsulfanyl)-2-phenylsulfanyl-ethane

2-(4-nitrophenylthio)-ethylchloroformate