1,1,2-Trichloropropane

Base Information

• Chemical Name: 1,1,2-Trichloropropane
• CAS No.: 598-77-6
• Molecular Formula: C3H5 Cl3
• Molecular Weight: 147.432
• European Community (EC) Number: 209-951-8
• UNII: U085TG80D1
• DSSTox Substance ID: DTXSID3024362
• Nikkaji Number: J35.472D
• Wikidata: Q27290517
• ChEMBL ID: CHEMBL3183042
• Mol file: 598-77-6.mol

Synonyms:1,1,2-trichloropropane

Chemical Property of 1,1,2-Trichloropropane

Chemical Property:

• Vapor Pressure: 14.8mmHg at 25°C
• Melting Point: -36.84°C (estimate)
• Refractive Index: 1.4670-1.4700
• Boiling Point: 125.3°Cat760mmHg
• Flash Point: 44.3°C
• PSA: 0.00000
• Density: 1.305g/cm³
• LogP: 2.41740
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 145.945683
• Heavy Atom Count: 6
• Complexity: 35

Purity/Quality:

97% ^*data from raw suppliers

1,1,2-Trichloropropane >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(Cl)Cl)Cl

Technology Process of 1,1,2-Trichloropropane

There total 26 articles about 1,1,2-Trichloropropane 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: 33.0%

1,2-Dichloropropane (26198-63-0,78-87-5) → 1,1,2-trichloropropane (598-77-6)

Guidance literature:

With aluminum (III) chloride; sulfuryl dichloride; at 60 ℃; for 1h; Reagent/catalyst; Solvent; Inert atmosphere;

Reference yield: 15.6%

1,2-Dichloropropane (26198-63-0,78-87-5) → 1,2,2-trichloropropane (3175-23-3) + 1,1,2,2-tetrachloropropane (13116-60-4) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4) + 1,2,2,3-tetrachloropropane (13116-53-5) + 1,1,2,3-tetrachloropropane (18495-30-2)

Guidance literature:

With sulfuryl dichloride; at 55 - 60 ℃;

Reference yield: 14.8%

→ 1,2,2-trichloropropane (3175-23-3) + 1,1,2,2-tetrachloropropane (13116-60-4) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4) + 1,2,2,3-tetrachloropropane (13116-53-5) + 1,1,2,3-tetrachloropropane (18495-30-2) + 1,1,2,2,3-pentachloropropane (16714-68-4)

Guidance literature:

With sulfuryl dichloride; 2,2'-azobis(isobutyronitrile); at 55 - 60 ℃;

upstream raw materials:

propene

1,2-Dichloropropane

1-Chloropropane

1,1-dichloropropane

Downstream raw materials:

2-chloro-1,1-difluoro-propane

1,1-dichloropropene

1,1,2,3-tetrachloropropane

1,1,2,2,3-pentachloropropane

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