Chlorocyclopropane

Base Information

• Chemical Name: Chlorocyclopropane
• CAS No.: 7393-45-5
• Molecular Formula: C3H5 Cl
• Molecular Weight: 76.5257
• Hs Code.: 2903890090
• European Community (EC) Number: 230-988-0
• UNII: 2VAN2MPF6S
• DSSTox Substance ID: DTXSID2064658
• Nikkaji Number: J150.688I
• Wikidata: Q81991747
• Mol file: 7393-45-5.mol

Synonyms:Chlorocyclopropane;Cyclopropyl chloride;7393-45-5;Cyclopropane, chloro-;2VAN2MPF6S;EINECS 230-988-0;UNII-2VAN2MPF6S;DTXSID2064658

Chemical Property of Chlorocyclopropane

Chemical Property:

• Vapor Pressure: 170mmHg at 25°C
• Boiling Point: 65.5°C at 760 mmHg
• PSA: 0.00000
• Density: 1.08g/cm³
• LogP: 1.38760
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 76.0079779
• Heavy Atom Count: 4
• Complexity: 22.5

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1Cl

Technology Process of Chlorocyclopropane

There total 24 articles about Chlorocyclopropane 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: 72.8%

1,1-dichlorocyclopropane (2088-35-9) → cyclopropyl chloride (7393-45-5)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -25 - -20 ℃; for 4h;

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:

cyclopropane

3,3-dichloropropene

1-chloro-1,3-dibromopropane

tert-butylhypochlorite

Downstream raw materials:

bicyclopropyl

cyclopropane

cyclopropylboronic acid pinacol ester

ethyl 8-methoxy-1-cyclopropyl-6,7-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate

Refernces

• 1、 -. "Synthetic method and process of halogenated cyclopropane". Paragraph 0016. . Retrieved 2021/03/31.
• 2、 Monnier, Maurice,Allouche, Alain,Verlaque, Patrick,Aycard, Jean-Pierre. "Photolysis of Matrix-Isolated Cyclopropylidene Ketene: Kinetic and Theoretical Studies of the Cyclopropylidene Formation". . p. 5977 - 5985. Retrieved 2007/10/02.