2-Chloroethyl p-nitrophenyl sulfide

Base Information

• Chemical Name: 2-Chloroethyl p-nitrophenyl sulfide
• CAS No.: 5535-73-9
• Molecular Formula: C8H8 Cl N O2 S
• Molecular Weight: 217.676
• Hs Code.: 2930909090
• European Community (EC) Number: 226-892-3
• NSC Number: 202602
• UNII: 37V6P7V4DJ
• DSSTox Substance ID: DTXSID90203907
• Nikkaji Number: J210.581K
• Wikidata: Q83077345
• Mol file: 5535-73-9.mol

Synonyms:2-Chloroethyl p-nitrophenyl sulfide;5535-73-9;2-Chloroethyl 4-nitrophenyl sulfide;Sulfide, 2-chloroethyl p-nitrophenyl;1-[(2-chloroethyl)thio]-4-nitrobenzene;EINECS 226-892-3;(2-chloroethyl)(4-nitrophenyl)sulfane;Benzene, 1-((2-chloroethyl)thio)-4-nitro-;BRN 2447163;Benzene, 1-[(2-chloroethyl)thio]-4-nitro-;NSC-202602;1-((2-Chloroethyl)thio)-4-nitrobenzene;Benzene, 1-((2-chloroethyl)thio)-4-nitro- (9CI);1-(2-chloroethylsulfanyl)-4-nitrobenzene;starbld0037121;WLN: WNR DS2G;37V6P7V4DJ;SCHEMBL8683656;DTXSID90203907;NSC202602;AKOS009474262;NSC 202602;LS-147920;1-[(2-Chloroethyl)sulfanyl]-4-nitrobenzene;1-[(2-Chloroethyl)sulfanyl]-4-nitrobenzene #

Chemical Property of 2-Chloroethyl p-nitrophenyl sulfide

Chemical Property:

• Vapor Pressure: 0.000158mmHg at 25°C
• Boiling Point: 341.5°Cat760mmHg
• Flash Point: 160.4°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: 166

Purity/Quality:

99% ^*data from raw suppliers

2-CHLOROETHYL 4-NITROPHENYL SULFIDE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloroethyl p-nitrophenyl sulfide

There total 2 articles about 2-Chloroethyl p-nitrophenyl sulfide 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:

2-(p-nitrophenylthio)ethanol (13287-76-8) → (2-chloro-ethyl)-(4-nitro-phenyl)-sulfide (5535-73-9) + N,N-dimethyl-aniline (121-69-7,77733-26-7)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

→ (2-chloro-ethyl)-(4-nitro-phenyl)-sulfide (5535-73-9)

Guidance literature:

β-Hydroxyethyl-p-nitrophenyl-thioether, SOCl2;

Reference yield:

(2-chloro-ethyl)-(4-nitro-phenyl)-sulfide (5535-73-9) → 4-(2-chloro-ethanesulfonyl)-aniline (20171-19-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous hydrogen peroxide; acetic acid

2: iron; acetic acid

With dihydrogen peroxide; iron; acetic acid;

upstream raw materials:

2-(p-nitrophenylthio)ethanol

Downstream raw materials:

(2-chloro-ethyl)-(4-nitro-phenyl)-sulfone

p-nitrophenyl vinyl sulphide

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

1-ethoxy-2-(4-nitro-benzenesulfonyl)-ethane