Sulfide, 2-chloroethyl o-nitrophenyl

Base Information

• Chemical Name: Sulfide, 2-chloroethyl o-nitrophenyl
• CAS No.: 62047-27-2
• Molecular Formula: C8H8 Cl N O2 S
• Molecular Weight: 217.676
• Hs Code.: 2930909090
• European Community (EC) Number: 263-390-3
• UNII: WC7X4F3TKB
• DSSTox Substance ID: DTXSID30211107
• Nikkaji Number: J306.973G
• Wikidata: Q83085968
• Mol file: 62047-27-2.mol

Synonyms:Sulfide, 2-chloroethyl o-nitrophenyl;62047-27-2;BRN 3268626;EINECS 263-390-3;WC7X4F3TKB;1-((2-Chloroethyl)thio)-2-nitrobenzene;1-[(2-chloroethyl)thio]-2-nitrobenzene;3-06-00-01057 (Beilstein Handbook Reference);Benzene, 1-[(2-chloroethyl)thio]-2-nitro-;BENZENE, 1-((2-CHLOROETHYL)THIO)-2-NITRO-;1-(2-chloroethylsulfanyl)-2-nitrobenzene;UNII-WC7X4F3TKB;SCHEMBL8324749;DTXSID30211107;1-(2-Chloroethylthio)-2-nitrobenzene;LS-147919

Chemical Property of Sulfide, 2-chloroethyl o-nitrophenyl

Chemical Property:

• Vapor Pressure: 0.000635mmHg at 25°C
• Boiling Point: 319.4°C at 760 mmHg
• Flash Point: 147°C
• PSA: 71.12000
• Density: 1.35g/cm³
• LogP: 3.44890
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.9964274
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Sulfide, 2-chloroethyl o-nitrophenyl

There total 10 articles about Sulfide, 2-chloroethyl o-nitrophenyl 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: 93.4%

2-((2-nitrophenyl)thio)ethan-1-ol (13287-78-0) → (2-chloro-ethyl)-(2-nitro-phenyl)-sulfide (62047-27-2)

Guidance literature:

With thionyl chloride; In toluene; for 11h; Reflux;

DOI:10.1016/j.bioorg.2018.09.019

Reference yield:

1-chloro-2-iodoethane (624-70-4) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → (2-chloro-ethyl)-(2-nitro-phenyl)-sulfide (62047-27-2)

Guidance literature:

With triethylamine; thiourea; In water; at 50 ℃; Green chemistry;

DOI:10.1039/c4ra11490f

Reference yield:

1-Bromo-2-chloroethane (107-04-0) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → (2-chloro-ethyl)-(2-nitro-phenyl)-sulfide (62047-27-2)

Guidance literature:

With triethylamine; thiourea; In water; at 50 ℃; Green chemistry;

DOI:10.1039/c4ra11490f

upstream raw materials:

2-((2-nitrophenyl)thio)ethan-1-ol

ethene

2-nitrobenzenesulfenyl chloride

ethylene dibromide

Downstream raw materials:

1-((2-chloroethyl)sulfonyl)-2-nitrobenzene

2-aminophenyl-2-chloroethyl-sulphide

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