CYCLOHEPTANE

CYCLOHEPTANE Basic information
Product Name:CYCLOHEPTANE
Synonyms:suberane;CYCLOHEPTANE;HEPTAMETHYLENE;Cycloheptan;CYCLOHEPTANE 97% (GC);Cycloheptane,99%;NSC 5164;Cycloheptanecarboxylic
CAS:291-64-5
MF:C7H14
MW:98.19
EINECS:206-030-2
Product Categories:Alkanes;Cyclic;Organic Building Blocks;Building Blocks;Chemical Synthesis;Organic Building Blocks
Mol File:291-64-5.mol
CYCLOHEPTANE Structure
CYCLOHEPTANE Chemical Properties
Melting point -12 °C
Boiling point 118.5 °C(lit.)
density 0.811 g/mL at 25 °C(lit.)
vapor pressure 44 mm Hg ( 37.7 °C)
refractive index n20/D 1.445(lit.)
Fp 43 °F
storage temp. Flammables area
solubility Soluble in alcohol, benzene, chloroform, ether, and ligroin (Weast, 1986)
form Liquid
color Clear colorless
Water Solubility Soluble in water 30 mg @ 20°C.
BRN 1900279
Henry's Law Constant9.35 x 10-2 atm?m3/mol(approximate - calculated from water solubility and vapor pressure)
Exposure limitsOrganic synthesis; gasoline component.
CAS DataBase Reference291-64-5(CAS DataBase Reference)
EPA Substance Registry SystemCycloheptane (291-64-5)
Safety Information
Hazard Codes F,Xn
Risk Statements 11-65
Safety Statements 16-23-24/25-62
RIDADR UN 2241 3/PG 2
WGK Germany 2
RTECS GU3140000
HazardClass 3
PackingGroup II
HS Code 29021900
Hazardous Substances Data291-64-5(Hazardous Substances Data)
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
CYCLOHEPTANE Usage And Synthesis
Chemical PropertiesClear colourless liquid
Physical propertiesClear, oily, flammable liquid with a faint odor resembling cyclohexane, cyclooctane, or gasoline.
UsesCycloheptane is used as a nonpolar solvent for the chemical industry and as an intermediate in the manufacture of chemicals and pharmaceutical drugs. It can be used to get fluorocycloheptane.
Synthesis Reference(s)Journal of the American Chemical Society, 95, p. 1669, 1973 DOI: 10.1021/ja00786a057
Tetrahedron Letters, 17, p. 463, 1976 DOI: 10.1016/S0040-4039(00)77883-X
The Journal of Organic Chemistry, 40, p. 3652, 1975 DOI: 10.1021/jo00913a008
General DescriptionA colorless oily liquid. Insoluble in water and less dense than water. Flash point 60°F. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.
Air & Water ReactionsHighly flammable. Insoluble in water.
Reactivity ProfileSaturated aliphatic hydrocarbons, such as CYCLOHEPTANE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents.
Health HazardMay be harmful by inhalation, ingestion, or skin absorption. May cause eye and skin irritation.
Fire HazardSpecial Hazards of Combustion Products: Vapor may travel considerable distance to a source of ignition and flash back. Container explosion may occur under fire conditions. Forms explosive mixures in air.
Environmental fateBiological. Cycloheptane may be oxidized by microbes to cycloheptanol, which may oxidize to give cycloheptanone (Dugan, 1972).
Photolytic. The following rate constants were reported for the reaction of cycloheptane and OH radicals in the atmosphere: 1.31 x 10-12 cm3/molecule?sec at 298 K (Atkinson, 1985) and 1.25 x 10-11 cm3/molecule?sec (Atkinson, 1990).
Chemical/Physical. Cycloheptane will not hydrolyze because it has no hydrolyzable functional group.

Purification MethodsDistil it from sodium using a Vigreux column (p 11), under nitrogen. It is highly flammable. [Bocian & Strauss J Am Chem Soc 99 2866 1977, Ruzicka et al. Helv Chim Acta 28 395 1945, Beilstein 5 H 92, 5 IV 92.]
CYCLOHEPTYLUREA CYCLOHEPTYLAMINE Cycloheptanol 1-HYDROXY-CYCLOHEPTANECARBOXYLIC ACID Homatropine Hydrobromide 1-ETHYNYL-1-CYCLOHEPTANOL ATROPINE N-OXIDE HYDROCHLORIDE Atropine Tropine CYCLOHEPTANEMETHYLAMINE 1,2-EPOXYCYCLOHEPTANE METHYL 2-OXO-1-CYCLOHEPTANECARBOXYLATE Convolvine N-cycloheptyl-3-oxobutanamide CYCLOHEPTYL BROMIDE 2-METHYLCARBAZOLE Cycloheptane carboxylic acid 99% (HYDROXYMETHYL)CYCLOHEPTANE

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