1-Bromo-3-(ethylsulfanyl)benzene

Base Information

• Chemical Name: 1-Bromo-3-(ethylsulfanyl)benzene
• CAS No.: 18184-69-5
• Molecular Formula: C8H9BrS
• Molecular Weight: 217.129
• Hs Code.: 2930909090
• European Community (EC) Number: 631-470-0
• DSSTox Substance ID: DTXSID40517642
• Nikkaji Number: J1.852.209H
• Wikidata: Q82379770
• Mol file: 18184-69-5.mol

Synonyms:1-Bromo-3-(ethylsulfanyl)benzene;18184-69-5;3-Bromo-1-ethanesulfanylbenzene;1-bromo-3-ethylsulfanylbenzene;Benzene, 1-bromo-3-(ethylthio)-;SCHEMBL100217;1-bromo-3-(ethylthio)benzene;DTXSID40517642;DYKHQTGFDPTFQD-UHFFFAOYSA-N;MFCD10699173;(3-BROMOPHENYL)(ETHYL)SULFANE;AKOS015835433;AT20878;BS-21792;CS-0199341;FT-0685466;EN300-140796;W-206297;Z1090207966

Chemical Property of 1-Bromo-3-(ethylsulfanyl)benzene

Chemical Property:

• Vapor Pressure: 0.0272mmHg at 25°C
• Boiling Point: 254.7oC at 760 mmHg
• Flash Point: 107.8oC
• PSA: 25.30000
• Density: 1.44g/cm3
• LogP: 3.56110
• Storage Temp.: Room temperature.
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 215.96083
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

97% ^*data from raw suppliers

1-Bromo-3-(ethylsulfanyl)benzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC(=CC=C1)Br

Technology Process of 1-Bromo-3-(ethylsulfanyl)benzene

There total 2 articles about 1-Bromo-3-(ethylsulfanyl)benzene 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%

3-Bromothiophenol (6320-01-0) + ethyl iodide (75-03-6) → 3-bromo-1-ethanesulfanylbenzene (18184-69-5)

Guidance literature:

With potassium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1016/S0960-894X(98)00717-3

Reference yield:

→ 3-bromo-1-ethanesulfanylbenzene (18184-69-5)

Guidance literature:

Reference yield: 86.0%

3,4,5,6-tetrahydro-2H-pyran-4-carbaldehyde (50675-18-8) + 3-bromo-1-ethanesulfanylbenzene (18184-69-5) → (3-(ethylthio)phenyl)(tetrahydro-2H-pyran-4-yl)methanol (1414778-12-3)

Guidance literature:

3-bromo-1-ethanesulfanylbenzene; With n-butyllithium; In cyclohexane; at -78 ℃; for 0.166667h; Inert atmosphere;

3,4,5,6-tetrahydro-2H-pyran-4-carbaldehyde; In cyclohexane; at -78 - 20 ℃; for 1h;

upstream raw materials:

3-Bromothiophenol

ethyl iodide

Downstream raw materials:

(3-(ethylthio)phenyl)(tetrahydro-2H-pyran-4-yl)methanol

C-cyclopropyl-C-(3-ethylsulfanylphenyl)methylamine hydrochloride

(R)-C-cyclopropyl-C-(3-ethanesulfonylphenyl)methylamine

(S)-C-cyclopropyl-C-(3-ethanesulfonylphenyl)methylamine