Cycloheptane

Cycloheptane
Skeletal formula	Ball-and-stick model
Identifiers
CAS Number	291-64-5 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL453194 ;
ChemSpider	8908 ;
ECHA InfoCard	100.005.483
EC Number	206-030-2;
PubChem CID	9265;
UNII	VTZ53P34JA ;
UN number	2241
CompTox Dashboard (EPA)	DTXSID0074269 ;
	InChI InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2 Key: DMEGYFMYUHOHGS-UHFFFAOYSA-N ; InChI=1/C7H14/c1-2-4-6-7-5-3-1/h1-7H2 Key: DMEGYFMYUHOHGS-UHFFFAOYAF;
	SMILES C1CCCCCC1;
Properties
Chemical formula	C7H14
Molar mass	98.189 g·mol−1
Appearance	colorless oily liquid
Density	0.8110 g/cm3
Melting point	−12 °C (10 °F; 261 K)
Boiling point	118.4 °C (245.1 °F; 391.5 K)
Solubility in water	negligible
Solubility	very soluble in ethanol, ether ; soluble in benzene, chloroform
log P	4.0
Refractive index (nD)	1.4436
Hazards
GHS pictograms
GHS Signal word	Danger
GHS hazard statements	H225, H304, H412
GHS precautionary statements	P210, P233, P240, P241, P242, P243, P273, P280, P301+310, P303+361+353, P331, P370+378, P403+235, P405, P501
NFPA 704 (fire diamond)	3 1 0
Flash point	6 °C (43 °F; 279 K)
Related compounds
Related cycloalkanes	Cyclohexane Cyclooctane
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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	Infobox references

Cycloheptane is a cycloalkane with the molecular formula C₇H₁₄. Cycloheptane is used as a nonpolar solvent for the chemical industry and as an intermediate in the manufacture of chemicals and pharmaceutical drugs. It may be derived by Clemmensen reduction from cycloheptanone. Cycloheptane vapour is irritating to the eyes and may cause respiratory depression if inhaled in large quantity.[1]

Conformations

Below are some of the many possible conformations.[2]

Boat
Chair

References

Mackay, Donald (2006). Handbook of Physical-chemical Properties and Environmental Fate for Organic Chemicals. CRC Press. ISBN 978-1566706872.
Bocian, D. F.; Pickett, H. M.; Rounds, T. C.; Strauss, H. L. (1975). "Conformations of cycloheptane". Journal of the American Chemical Society. 97 (4): 687–695. doi:10.1021/ja00837a001. ISSN 0002-7863.

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[hpcp-1] Mackay, Donald (2006). Handbook of Physical-chemical Properties and Environmental Fate for Organic Chemicals. CRC Press. ISBN 978-1566706872.

[:0-2] Bocian, D. F.; Pickett, H. M.; Rounds, T. C.; Strauss, H. L. (1975). "Conformations of cycloheptane". Journal of the American Chemical Society. 97 (4): 687–695. doi:10.1021/ja00837a001. ISSN 0002-7863.