1,3-Dichloropropane

Base Information

• Chemical Name: 1,3-Dichloropropane
• CAS No.: 142-28-9
• Molecular Formula: C3H6Cl2
• Molecular Weight: 112.987
• Hs Code.: 29031990
• European Community (EC) Number: 205-531-3
• ICSC Number: 0724
• NSC Number: 6204
• UN Number: 1993,1992
• UNII: AJ1HQ2GUCP
• DSSTox Substance ID: DTXSID6022004
• Nikkaji Number: J2.543G
• Wikipedia: 1,3-Dichloropropane
• Wikidata: Q2436290
• ChEMBL ID: CHEMBL157427
• Mol file: 142-28-9.mol

Synonyms:1,3-dichloropropane

Chemical Property of 1,3-Dichloropropane

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 18.3mmHg at 25°C
• Melting Point: -99 ºC
• Refractive Index: n20/D 1.448(lit.)
• Boiling Point: 120.4 °C at 760 mmHg
• Flash Point: 32.2 °C
• PSA: 0.00000
• Density: 1.188 g/cm³
• LogP: 1.85410
• Storage Temp.: Refrigerator
• Water Solubility.: 0.8 g/L (20 ºC)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 111.9846556
• Heavy Atom Count: 5
• Complexity: 12.4
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dichloropropane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,T
• Hazard Codes: F,Xn,T,Xi
• Statements: 11-20-20/22-52/53-36/37/38-39/23/24/25-23/24/25-36-20/21/22
• Safety Statements: 9-16-29-33-24-61-26-45-36/37-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: C(CCl)CCl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract.
• Uses: 1,3-Dichloropropane is used as an intermediate in organic synthesis. It is also used as solvent, detergent and chromatographic analysis. Further, it is used to prepare 3,7-dithia-nonanedioic acid by reacting with mercaptoacetic acid.

Technology Process of 1,3-Dichloropropane

There total 63 articles about 1,3-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: 83.5%

cyclopropane (75-19-4) → cyclopropyl chloride (7393-45-5) + 1,1-dichlorocyclopropane (2088-35-9) + 1,3-Dichloropropane (142-28-9) + 3-chloroprop-1-ene (107-05-1)

Guidance literature:

With chlorine; silicon tetrafluoride; at 600 ℃; Product distribution; Irradiation;

DOI:10.1016/0584-8539(87)80080-6

Reference yield: 75.0%

trimethyleneglycol (504-63-2) → 1,3-Dichloropropane (142-28-9) + 1-chloro-3-hydroxypropane (627-30-5)

Guidance literature:

With tetrachloromethane; triphenylphosphine; In acetonitrile; Product distribution; Mechanism;

DOI:10.1021/jo00329a052

Reference yield: 11.0%

cyclopropane (75-19-4) → 1,1,3-trichloropropane (20395-25-9) + 1,2,3-trichloropropane (96-18-4) + cyclopropyl chloride (7393-45-5) + 1,1-dichlorocyclopropane (2088-35-9) + 1,3-Dichloropropane (142-28-9)

Guidance literature:

With chlorine; In trichlorofluoromethane; at 21 ℃; for 0.0833333h; Product distribution; Mechanism; Irradiation; also 1,3-dichloropropane; var. solvents (also in the gas phase);

DOI:10.1021/ja00091a020

upstream raw materials:

trimethylene oxide

3-chloropropyl p-toluenesulfonate

diethyl ether

formaldehyd

Downstream raw materials:

1-tert-butyl-4-(3-chloropropoxy)benzene

1,3-bis-(4-tert-butyl-phenoxy)-propane

hexa-Si-phenyl-Si,Si'-propanediyl-bis-silane

2-[(3-chloropropyl)sulfanyl]-1,3-benzothiazole

Refernces

• 1、 Il'inskaya, L. V.,Kuz'mina, N. A.,Gasanov, R. G.,Chukovskaya, E. Ts.. "KINETICS AND MECHANISM OF THE REDUCTION OF POLYCHLOROALKANES BY THREITHYLSILANE, CATALYZED BY BINUCLEAR MANGANESE AND RHENIUM CARBONYLS". . p. 2087 - 2090. Retrieved 1987.
• 2、 Tague, Thomas J.,Wight, Charles A.. "Conformational Selectivity in the Solid-State Photochlorination of Cyclopropane". . p. 3266 - 3269. Retrieved 1993.
• 3、 Tanko, James M.,Suleman, N. Kamrudin. "Solvent pressure effects in free radical reactions. 2. Reconciliation of the gas and condensed phase chlorination of cyclopropane". . p. 5162 - 5166. Retrieved 1994.
• 4、 Mayo. "-". . p. 5392,5394. Retrieved 1954.
• 5、 -. "Method and system for producing 1, 3-propylene glycol from 1, 3-dichloropropanol". Paragraph 0083; 0086-0087; 0090; 0093-0094; 0097; 0100-0101. . Retrieved 2021/03/13.
• 6、 Nishiyama, Haruka,Hosoya, Hiromu,Parker, Bernard F.,Arnold, John,Tsurugi, Hayato,Mashima, Kazushi. "Hydrodehalogenation of alkyl halides catalyzed by a trichloroniobium complex with a redox active α-diimine ligand". supporting information. p. 7247 - 7250. Retrieved 2019/07/02.