Benzene, 1,2,4-trichloro-5-(phenylthio)-

Base Information

• Chemical Name: Benzene, 1,2,4-trichloro-5-(phenylthio)-
• CAS No.: 3773-46-4
• Molecular Formula: C₁₂H₇Cl₃S
• Molecular Weight: 289.613
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00191169
• Nikkaji Number: J8.250C
• Wikidata: Q83063664
• Mol file: 3773-46-4.mol

Synonyms:2,4,5-Trichlorodiphenyl sulfide;3773-46-4;Benzene, 1,2,4-trichloro-5-(phenylthio)-;C12H7Cl3S;C12-H7-Cl3-S;SCHEMBL11300501;DTXSID00191169;Sulfide, phenyl 2,4,5-trichlorophenyl;V-113

Chemical Property of Benzene, 1,2,4-trichloro-5-(phenylthio)-

Chemical Property:

• Vapor Pressure: 2.41E-05mmHg at 25°C
• Boiling Point: 370.1°C at 760 mmHg
• Flash Point: 166.3°C
• PSA: 25.30000
• Density: 1.46g/cm³
• LogP: 5.79800
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 287.933404
• Heavy Atom Count: 16
• Complexity: 218

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC(=C(C=C2Cl)Cl)Cl

Technology Process of Benzene, 1,2,4-trichloro-5-(phenylthio)-

There total 7 articles about Benzene, 1,2,4-trichloro-5-(phenylthio)- 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:

2,4,5-trichloroaniline (636-30-6) → 2,4,5-trichlorodiphenylsulfide (3773-46-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium nitrite / H₂SO₄ / 3 h / 20 °C

2: aq. NaOH / 2 h / 50 °C

With sodium nitrite; In sodium hydroxide; sulfuric acid; 1: Diazotization / 2: Addition;

DOI:10.1016/S0045-6535(98)00582-7

Reference yield:

2,4,5-Trichlor-benzoldiazonium (45889-73-4) + thiophenol (108-98-5) → 2,4,5-trichlorodiphenylsulfide (3773-46-4)

Guidance literature:

In sodium hydroxide; at 50 ℃; for 2h;

DOI:10.1016/S0045-6535(98)00582-7

Reference yield:

4-(2,4,5-trichloro-phenylsulfanyl)-aniline (90309-24-3) → 2,4,5-trichlorodiphenylsulfide (3773-46-4)

Guidance literature:

With ethanol; sulfuric acid; sodium nitrite;

upstream raw materials:

4-(2,4,5-trichloro-phenylsulfanyl)-aniline

2,4,5-Trichlor-benzoldiazonium

thiophenol

2,4,5-trichloroaniline

Downstream raw materials:

phenyl-(2,4,5-trichloro-phenyl)-sulfoxide