1,2-Dichloropropane

Base Information

• Chemical Name: 1,2-Dichloropropane
• CAS No.: 78-87-5
• Deprecated CAS: 26198-63-0
• Molecular Formula: C₃H₆Cl₂
• Molecular Weight: 112.987
• Hs Code.: 2903199000
• European Community (EC) Number: 201-152-2
• ICSC Number: 0441
• NSC Number: 1237
• UN Number: 1279
• UNII: RRZ023OFWL
• DSSTox Substance ID: DTXSID0020448
• Nikkaji Number: J1.486I
• Wikipedia: 1,2-Dichloropropane
• Wikidata: Q161478
• ChEMBL ID: CHEMBL44641
• Mol file: 78-87-5.mol

Synonyms:1,2-dichloropropane;propylene dichloride

Chemical Property of 1,2-Dichloropropane

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 53.9mmHg at 25°C
• Melting Point: -100 °C(lit.)
• Refractive Index: n20/D 1.439(lit.)
• Boiling Point: 94.5 °C at 760 mmHg
• Flash Point: 4.4 °C
• PSA: 0.00000
• Density: 1.116 g/cm³
• LogP: 1.85250
• Water Solubility.: 3 g/L (20℃)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 111.9846556
• Heavy Atom Count: 5
• Complexity: 20.9
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99%, 95% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,Xn,T
• Hazard Codes: F:Flammable;;
• Statements: R11:; R20/22:
• Safety Statements: S16:; S24:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: CC(CCl)Cl
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. The substance defats the skin, which may cause dryness or cracking. The substance may have effects on the liver and kidneys. This substance is carcinogenic to humans.

Technology Process of 1,2-Dichloropropane

There total 80 articles about 1,2-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: 91.4%

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 2-chloropropene (557-98-2) + 1,2-Dichloropropane (26198-63-0,78-87-5) + E/Z-1,3-Dichloropropene (542-75-6) + isopropyl chloride (75-29-6) + propenyl chloride (590-21-6) + 3-chloroprop-1-ene (107-05-1)

Guidance literature:

With aluminum oxide; copper dichloride; dibenzoyl peroxide; at 489.9 ℃; for 0.000555556h; Product distribution; Mechanism; also other temperatures (503 K - 753 K) and initiators (chloral dioxyperoxide);

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + chlorine (7782-50-5) → 1,2,2-trichloropropane (3175-23-3) + 1,2-Dichloropropane (26198-63-0,78-87-5) + 1,1,2-trichloropropane (598-77-6)

Guidance literature:

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + chlorine (7782-50-5) → 1,2,2-trichloropropane (3175-23-3) + 1,2-Dichloropropane (26198-63-0,78-87-5) + 1,1,2-trichloropropane (598-77-6) + 1,2,3-trichloropropane (96-18-4)

Guidance literature:

at 52 - 66 ℃; in Gegenwart von fluessigen Anteilen des Reaktionsprodukts; aus 3 Mol Propylen und l Mol Chlor im Dunkeln;

upstream raw materials:

propylene glycol

propene

propane

1-Chloropropane

Downstream raw materials:

glycerol

2-ethoxyprop-1-ene

1,2-diacetoxypropane

propylene glycol

Refernces

• 1、 Testova,Shalygin,Maksimov,Paukshtis,Parmon. "Propane chlorination over ruthenium oxychloride catalysts". . p. 428 - 433. Retrieved 2015/08/04.
• 2、 -. "Electrochemical hydroxide systems and methods using metal oxidation". Page/Page column 98. . Retrieved 2015/12/04.