Ethanol, 2-(p-bromophenylthio)-

Base Information

• Chemical Name: Ethanol, 2-(p-bromophenylthio)-
• CAS No.: 14703-92-5
• Molecular Formula: C8H9 Br O S
• Molecular Weight: 233.129
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50163578
• Nikkaji Number: J49.823H
• Wikidata: Q83032501
• Mol file: 14703-92-5.mol

Synonyms:14703-92-5;Ethanol, 2-(p-bromophenylthio)-;2-[(4-bromophenyl)sulfanyl]ethan-1-ol;2-(4-Bromophenylthio)ethanol;2-(4-bromophenyl)sulfanylethanol;2-p-Bromophenylthioethanol;BRN 1941196;C8H9BrOS;Ethanol, 2-((4-bromophenyl)thio)-,;C8-H9-Br-O-S;SCHEMBL7997051;DTXSID50163578;Ethanol, 2-[(4-bromophenyl)thio]-;AKOS009076034;AT20956;LS-66513;2-((4-BROMOPHENYL)THIO)ETHAN-1-OL;CS-0214603;EN300-182751;Z149190682

Chemical Property of Ethanol, 2-(p-bromophenylthio)-

Chemical Property:

• Vapor Pressure: 0.000112mmHg at 25°C
• Boiling Point: 322.8°C at 760 mmHg
• Flash Point: 149°C
• PSA: 45.53000
• Density: 1.57g/cm³
• LogP: 2.53350
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 231.95575
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

99% ^*data from raw suppliers

2-[(4-bromophenyl)sulfanyl]ethan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1SCCO)Br

Technology Process of Ethanol, 2-(p-bromophenylthio)-

There total 7 articles about Ethanol, 2-(p-bromophenylthio)- 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: 99.0%

para-bromobenzenethiol (106-53-6) + 2-chloro-ethanol (107-07-3) → 4-(2-hydroxyethylthio)bromobenzene (14703-92-5)

Guidance literature:

With sodium hydroxide; In water; at 20 - 40 ℃; for 5h; Thermodynamic data; Kinetics;

DOI:10.1021/op800292b

Reference yield: 89.0%

para-bromobenzenethiol (106-53-6) + 2-bromoethanol (540-51-2) → 4-(2-hydroxyethylthio)bromobenzene (14703-92-5)

Guidance literature:

para-bromobenzenethiol; With sodium hydroxide; In water; for 0.166667h;

2-bromoethanol; In water; at 20 ℃; for 2h;

Reference yield: 87.0%

benzyl bromide (100-39-0) + para-bromobenzenethiol (106-53-6) + 2-bromoethanol (540-51-2) → 4-(2-hydroxyethylthio)bromobenzene (14703-92-5)

Guidance literature:

para-bromobenzenethiol; With sodium hydride; In N,N-dimethyl-formamide; for 0.5h;

benzyl bromide; 2-bromoethanol; In N,N-dimethyl-formamide; for 20h; Further stages.;

DOI:10.1021/jm020160g

upstream raw materials:

para-bromobenzenethiol

2-bromoethanol

benzyl bromide

2-chloro-ethanol

Downstream raw materials:

4-(2-hydroxyethylsulfonyl)bromobenzene

2-[2-(4-bromophenylsulfanyl)ethoxy]naphthalene-1-carboxylic acid benzyl ester

2-[2-(4'-chlorobiphenyl-4-sulfonyl)ethoxy]naphthalene-1-carboxylic acid

2-[2-(4'-methoxy-biphenyl-4-sulfonyl)-ethoxy]-naphthalene-1-carboxylic acid