1,1-Dichloropropene

Base Information

• Chemical Name: 1,1-Dichloropropene
• CAS No.: 563-58-6
• Molecular Formula: C3H4Cl2
• Molecular Weight: 110.971
• European Community (EC) Number: 209-253-3,248-134-0
• NSC Number: 6201
• UN Number: 2047
• UNII: 5C5688865R
• DSSTox Substance ID: DTXSID1029910
• Nikkaji Number: J6.509I
• Wikidata: Q24755666
• ChEMBL ID: CHEMBL1595845
• Mol file: 563-58-6.mol

Synonyms:1,1-dichloropropene

Chemical Property of 1,1-Dichloropropene

Chemical Property:

• Boiling Point: 78.1°Cat760mmHg
• Flash Point: 0.6°C
• PSA: 0.00000
• Density: 1.177g/cm³
• LogP: 2.32530
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 109.9690055
• Heavy Atom Count: 5
• Complexity: 42.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T

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 1,1-Dichloropropene

There total 24 articles about 1,1-Dichloropropene 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: 55.0%

3,3,3-trichloro-1-propene (2233-00-3) → 1,1,1-trichloropropane (7789-89-1) + 1,1-dichloropropene (563-58-6) + 3,3,3-trichloropropyltriethylsilane (17873-97-1) + hexa-Si-ethyl-Si,Si'-propanediyl-bis-silane (17955-48-5)

Guidance literature:

With triethylsilane; dihydrogen hexachloroplatinate; isopropyl alcohol; at 20 ℃; for 48h; Further byproducts given;

DOI:10.1007/BF00956356

Reference yield: 55.0%

triethylsilane (617-86-7) + 3,3,3-trichloro-1-propene (2233-00-3) → 1,1,1-trichloropropane (7789-89-1) + 1,1-dichloropropene (563-58-6) + 3,3,3-trichloropropyltriethylsilane (17873-97-1) + hexa-Si-ethyl-Si,Si'-propanediyl-bis-silane (17955-48-5)

Guidance literature:

With dihydrogen hexachloroplatinate; isopropyl alcohol; at 20 ℃; for 48h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1007/BF00956356

Reference yield: 55.0%

triethylsilane (617-86-7) + 3,3,3-trichloro-1-propene (2233-00-3) → 1,1-dichloropropene (563-58-6) + 3,3,3-trichloropropyltriethylsilane (17873-97-1) + hexa-Si-ethyl-Si,Si'-propanediyl-bis-silane (17955-48-5) + ((E)-1-Chloro-propenyl)-triethyl-silane (114700-65-1)

Guidance literature:

With dihydrogen hexachloroplatinate; isopropyl alcohol; at 20 ℃; for 48h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1007/BF00956356

upstream raw materials:

1,1,1-trichloropropane

1,1,2-trichloropropane

1,1,1,2,3-pentachloro-propane

3,3-dichloroallyl chloride

Downstream raw materials:

3,3-dichloroallyl chloride

prop-1-yne

1,1,1,2-tetrachloropropane

1,1,1,2,2-pentachloropropane

Refernces

• 1、 -. "PROCESS FOR THE PRODUCTION OF CHLORINATED AND/OR FLUORINATED PROPENES". Page/Page column 8. . Retrieved 2011/04/25.
• 2、 Potapov. "TWO ROUTES OF PROPENE CONVERSION INTO PERCHLORO DERIVATIVES BY THE ACTION OF HYDROGEN CHLORIDE AND OXYGEN.". . p. 1773 - 1774. Retrieved 2007/10/02.