Methylchlor

Base Information

• Chemical Name: Methylchlor
• CAS No.: 4413-31-4
• Molecular Formula: C16H15 Cl3
• Molecular Weight: 313.654
• Hs Code.: 2903999090
• NSC Number: 406167
• UNII: 4F7Q7U4D97
• DSSTox Substance ID: DTXSID9042675
• Nikkaji Number: J8.741F
• Wikidata: Q27259518
• Mol file: 4413-31-4.mol

Synonyms:2,2-bis(p-methylphenyl)-1,1,1-trichloroethane;methylchlor

Chemical Property of Methylchlor

Chemical Property:

• Melting Point: 89 °C
• Refractive Index: 1.5610 (estimate)
• Boiling Point: 398.78°C (rough estimate)
• Flash Point: 272.7oC
• PSA: 0.00000
• Density: 1.1637 (rough estimate)
• LogP: 5.80550
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 312.023934
• Heavy Atom Count: 19
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C(Cl)(Cl)Cl

Technology Process of Methylchlor

There total 9 articles about Methylchlor 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:

chloral (75-87-6) + toluene (108-88-3,15644-74-3,16713-13-6) → Methylchlor (4413-31-4)

Guidance literature:

With sulfuric acid;

Reference yield:

1,2,2,2-tetrachloroethyl methyl ether (18272-01-0) + toluene (108-88-3,15644-74-3,16713-13-6) → Methylchlor (4413-31-4)

Guidance literature:

With aluminium trichloride; In dichloromethane;

Reference yield:

phenyl-methanesulfonic acid amide (4563-33-1) → Methylchlor (4413-31-4) + phenyl-N-[2,2,2-trichloro-1-(4-methylphenyl)ethyl]methanesulfonamide (1376938-30-5)

Guidance literature:

Multi-step reaction with 3 steps

1: chlorine; sodium hydroxide / water / 2 h / 20 °C

2: 90 - 92 °C / Inert atmosphere

3: phosphorus pentoxide; sulfuric acid

With phosphorus pentoxide; sulfuric acid; chlorine; sodium hydroxide; In water;

DOI:10.1134/S107042801204001X

upstream raw materials:

chloral

toluene

chloral hydrate

1,2,2,2-tetrachloroethyl methyl ether

Downstream raw materials:

1,1-dichloro-2,2-bis(p-methylphenyl)ethane

(E)-4,4'-dimethylstilbene

1,2-bis(4-methylphenyl)acetylene

4,4'-dimethylstilbene

Refernces