2,2-Dichloropropane

Base Information

• Chemical Name: 2,2-Dichloropropane
• CAS No.: 594-20-7
• Molecular Formula: C3H6 Cl2
• Molecular Weight: 112.987
• Hs Code.: 2903199000
• European Community (EC) Number: 209-832-0
• UNII: C5V432N6XB
• DSSTox Substance ID: DTXSID7030060
• Nikkaji Number: J3.646C
• Wikidata: Q25384673
• ChEMBL ID: CHEMBL349587
• Mol file: 594-20-7.mol

Synonyms:2,2-dichloropropane

Chemical Property of 2,2-Dichloropropane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 132mmHg at 25°C
• Melting Point: −35 °C(lit.)
• Refractive Index: n20/D 1.4145(lit.)
• Boiling Point: 68-69 °C(lit.)
• Flash Point: °C
• PSA: 0.00000
• Density: 1.12g/cm³
• LogP: 2.20010
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 111.9846556
• Heavy Atom Count: 5
• Complexity: 27.9

Purity/Quality:

98% ^*data from raw suppliers

2,2-Dichloropropane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11-36
• Safety Statements: 9-16-29-33-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: CC(C)(Cl)Cl

Technology Process of 2,2-Dichloropropane

There total 15 articles about 2,2-Dichloropropane 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: 40.0%

acetone oxime (127-06-0) → 2,2-dichloropropane (594-20-7)

Guidance literature:

With aluminium trichloride; chlorine; In dichloromethane;

DOI:10.1021/jo00059a057

Reference yield:

2-bromo-2-chloropropane (2310-98-7) → 2,2-dichloropropane (594-20-7) + 2,2-dibromopropane (594-16-1)

Guidance literature:

at 209.9 ℃; Equilibrium constant;

Reference yield:

acetone (67-64-1) → 2,2-dichloropropane (594-20-7)

Guidance literature:

With phosphorus pentachloride;

upstream raw materials:

2-chloropropene

propane

isopropyl chloride

acetone

Downstream raw materials:

acetic anhydride

ethyl acetate

acetone

1,3-dichloro-3-methylbutane

Refernces

• 1、 Marchetti, Fabio,Pampaloni, Guido,Zacchini, Stefano. "The interaction of molybdenum pentachloride with carbonyl compounds". . p. 2477 - 2487. Retrieved 2013/03/29.
• 2、 Tordeux, Marc,Boumizane, Khalid,Wakselman, Claude. "Preparation of gem-Dichloroalkanes from Oximes". . p. 1939 - 1940. Retrieved 2007/10/02.