Octadecyl 4-chlorobenzenesulfonate

Base Information

• Chemical Name: Octadecyl 4-chlorobenzenesulfonate
• CAS No.: 34184-41-3
• Molecular Formula: C24H41 Cl O3 S
• Molecular Weight: 445.107
• Hs Code.: 2905199090
• DSSTox Substance ID: DTXSID30391438
• Nikkaji Number: J2.710.843A
• Wikidata: Q72497086
• Mol file: 34184-41-3.mol

Synonyms:Octadecyl 4-chlorobenzenesulfonate;34184-41-3;Octadecyl p-Chlorobenzenesulfonate;4-Chlorobenzenesulfonic Acid Octadecyl Ester;SCHEMBL1123596;DTXSID30391438;BZMZOJFOPWKCKG-UHFFFAOYSA-N;octadecyl parachlorobenzenesulfonate;AKOS015889267;OCTADECYL4-CHLOROBENZENESULFONATE;FT-0673210;J-019482

Chemical Property of Octadecyl 4-chlorobenzenesulfonate

Chemical Property:

• Vapor Pressure: 1.55E-10mmHg at 25°C
• Melting Point: 64-66 °C(lit.)
• Refractive Index: 1.495
• Boiling Point: 523.6°C at 760 mmHg
• Flash Point: 270.5°C
• PSA: 51.75000
• Density: 1.034g/cm³
• LogP: 9.38760
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 444.2464940
• Heavy Atom Count: 29
• Complexity: 453

Purity/Quality:

99.90% ^*data from raw suppliers

Octadecyl4-Chlorobenzenesulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)Cl
• Uses: Octadecyl 4-Chlorobenzenesulfonate is used in the synthesis of lipophilic sulfophenylcarbocyanine dyes as a new class of fluorescent cell membrane probes.

Technology Process of Octadecyl 4-chlorobenzenesulfonate

There total 2 articles about Octadecyl 4-chlorobenzenesulfonate 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:

1-octadecanol (112-92-5) + 4-chlorobenzenesulfonyl chloride (98-60-2) → 4-Chlorobenzolsulfonsaeure-octadecylester (34184-41-3)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield:

→ 4-Chlorobenzolsulfonsaeure-octadecylester (34184-41-3)

Guidance literature:

n-Stearylalkohol, p-Chlorbenzolsulfochlorid;

Reference yield: 66.0%

2,3,3-trimethylindoleniune (1640-39-7) + 4-Chlorobenzolsulfonsaeure-octadecylester (34184-41-3) → 2,3,3-Trimethyl-1-octadecyl-3H-indolium-(4-chlorobenzolsulfonate)

Guidance literature:

upstream raw materials:

1-octadecanol

4-chlorobenzenesulfonyl chloride

Downstream raw materials:

2,5-dimethyl-3-octadecyl-benzoselenazolium; 4-chloro-benzenesulfonate

2-Methyl-3-octadecylbenzo<1,3>oxazolium-(4-chlorbenzolsulfonat)

2-Methyl-3-octadecylbenzo<1,3>thiazolium-(4-chlorbenzolsulfonat)

1,3-bis-(3-octadecyl-benzothiazol-2-yl)-trimethinium; 4-chloro-benzenesulfonate