(4-Chlorophenylthio)acetonitrile

Base Information

• Chemical Name: (4-Chlorophenylthio)acetonitrile
• CAS No.: 18527-19-0
• Molecular Formula: C8H6 Cl N S
• Molecular Weight: 183.661
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70380886
• Nikkaji Number: J1.745.740C
• Wikidata: Q69758942
• Mol file: 18527-19-0.mol

Synonyms:(4-Chlorophenylthio)acetonitrile;18527-19-0;2-(4-chlorophenyl)sulfanylacetonitrile;2-((4-Chlorophenyl)thio)acetonitrile;2-[(4-chlorophenyl)sulfanyl]acetonitrile;[(4-Chlorophenyl)thio]acetonitrile;p-Chlorophenylthioacetonitrile;2-[(4-chlorophenyl)thio]acetonitrile;2-(4-chlorophenylthio)acetonitrile;Acetonitrile, [(4-chlorophenyl)thio]-;[(4-Chlorophenyl)sulphanyl]acetonitrile;Acetonitrile,2-[(4-chlorophenyl)thio]-;Maybridge1_004623;1-HEXEN-3-YLACETATE;SCHEMBL7879574;HMS554K03;DTXSID70380886;MFCD00019832;AKOS000216475;[(4-Chlorophenyl)sulfanyl]acetonitrile;MS-6751;CS-0206178;FT-0604761;EN300-15494;A812939;Z19728982

Chemical Property of (4-Chlorophenylthio)acetonitrile

Chemical Property:

• Vapor Pressure: 0.00117mmHg at 25°C
• Melting Point: 79 °C
• Boiling Point: 299.7°Cat760mmHg
• Flash Point: 135.1°C
• PSA: 49.09000
• Density: 1.29g/cm³
• LogP: 2.95568
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 182.9909481
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99%, ^*data from raw suppliers

(4-Chlorophenylthio)acetonitrile ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1SCC#N)Cl

Technology Process of (4-Chlorophenylthio)acetonitrile

There total 9 articles about (4-Chlorophenylthio)acetonitrile 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: 89.0%

4-chlorophenyl benzyl sulfide (53830-54-9) + 2-aminoacetonitrile hydrochloride (6011-14-9) → 4-chlorophenylthioacetonitrile (18527-19-0)

Guidance literature:

With (phthalocyaninato)iron(II); sodium nitrite; In chloroform; water; at 40 ℃; for 14h; Inert atmosphere;

DOI:10.1039/C8CC08821G

Reference yield: 85.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + chloroacetonitrile (107-14-2) → 4-chlorophenylthioacetonitrile (18527-19-0)

Guidance literature:

With aluminium trichloride; zinc; In water; N,N-dimethyl-formamide; at 65 ℃; for 6h;

DOI:10.1081/SCC-120003615

Reference yield: 63.0%

chloroacetonitrile (107-14-2) + p-Chlorothiophenol (106-54-7) → 4-chlorophenylthioacetonitrile (18527-19-0)

Guidance literature:

With sodium methylate; In methanol; 1) r.t., 2 h, 2) 50 deg C, 5 h;

DOI:10.1135/cccc19811188

upstream raw materials:

chloroacetonitrile

p-Chlorothiophenol

sodium p-chlorothiophenolate

4,4'-dichlorodiphenyl disulfide

Downstream raw materials:

(E)-2-(4-Chloro-phenylsulfanyl)-3-methylsulfanyl-3-phenylamino-acrylonitrile

2-(4-Chloro-phenylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-(4-Chloro-phenylsulfanylmethyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

2-Chloro-3-<2-(4-chlorophenylthio)-2-cyanovinyl>quinoline

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 18527-19-0 (4-CHLOROPHENYLTHIO)ACETONITRILE

Send

Send

Metric Ton KG G Pound L ML

Send

Send