Chlorocyclobutane

Base Information

• Chemical Name: Chlorocyclobutane
• CAS No.: 1120-57-6
• Molecular Formula: C4H7 Cl
• Molecular Weight: 90.5526
• Hs Code.: 2903890090
• European Community (EC) Number: 214-314-2
• DSSTox Substance ID: DTXSID60149808
• Nikkaji Number: J203.350J
• Wikidata: Q72459394
• Mol file: 1120-57-6.mol

Synonyms:Chlorocyclobutane;1120-57-6;Cyclobutyl chloride;cyclobutane, chloro-;chloro-cyclobutane;EINECS 214-314-2;chloranylcyclobutane;Cyclobutyl chloride, 97%;AMY6175;DTXSID60149808;BBL100389;MFCD00013736;STL554183;AKOS005254363;AC-10054;BP-20182;FT-0624156;EN300-115093;T70092;A802478;W-108658

Chemical Property of Chlorocyclobutane

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 85.6mmHg at 25°C
• Melting Point: 155-156 °C
• Refractive Index: n20/D 1.436(lit.)
• Boiling Point: 83 ºC
• Flash Point: -9 ºC
• PSA: 0.00000
• Density: 0.991
• LogP: 1.77770
• Storage Temp.: 0-6°C
• Water Solubility.: Insoluble in water.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 90.0236279
• Heavy Atom Count: 5
• Complexity: 30.6

Purity/Quality:

99% ^*data from raw suppliers

Chlorocyclobutane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xn
• Statements: 11-20/21/22
• Safety Statements: 16-33-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C1)Cl
• Uses: It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and dyestuffs.

Technology Process of Chlorocyclobutane

There total 25 articles about Chlorocyclobutane 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: 18.0%

Cyclopropylmethanol (2516-33-8) → 3-butenyl chloride (927-73-1) + chlorocyclobutane (1120-57-6) + chloro(cyclopropyl)methane (5911-08-0)

Guidance literature:

DOI:10.1016/S0040-4039(01)93454-9

Reference yield:

3-cyclopropylmethoxy-3-chlorodiaziridine (122651-94-9) → 3-butenyl chloride (927-73-1) + chlorocyclobutane (1120-57-6) + chloro(cyclopropyl)methane (5911-08-0)

Guidance literature:

In acetonitrile; at 25 ℃;

DOI:10.1016/S0040-4039(01)80428-7

Reference yield:

cyclopropylcarbinol hypochlorite (75637-38-6) → 3-butenyl chloride (927-73-1) + chlorocyclobutane (1120-57-6) + chloro(cyclopropyl)methane (5911-08-0)

Guidance literature:

With triphenyl phosphite; In dichloromethane; at -78 ℃;

upstream raw materials:

cyclobutane

potassium acetate

acetic acid

chloro(cyclopropyl)methane

Downstream raw materials:

chloro(cyclopropyl)methane

1,1‐dichlorocyclobutane

1-Bromo-1-chlorocyclobutane

cis-1,3-Dichlorcyclobutan

Refernces

• 1、 Wiberg et al.. "". . p. 4286,4287-4289. Retrieved 1977.
• 2、 Roberts,Chambers. "". . p. 5030. Retrieved 1951.
• 3、 Abramova, N. M.,Zotova, S. V.,Nesmeyanova, O. A.. "ELECTROPHILIC ADDITION TO BICYCLOBUTANE>". . p. 961 - 964. Retrieved 1982.
• 4、 Sedlacek, Arthur J.,Wight, Charles A.. "Free radical chain reactions of chlorine with cyclobutane in the solid state: Evidence for radical migration via H atom transfer". . p. 2847 - 2848. Retrieved 1988.
• 5、 Walling,Fredricks. "-". . p. 3326,3331. Retrieved 1962.
• 6、 Blake, Michael E,Jones Jr., Maitland,Zheng, Fengmei,Moss, Robert A. "Fragmentation of alkoxychlorocarbenes in the gas phase". . p. 3069 - 3071. Retrieved 2007/10/03.