Cycloheptatriene

Cycloheptatriene
Names
Preferred IUPAC name
Cyclohepta-1,3,5-triene[1]
Other names
1,3,5-Cycloheptatriene
1H-[7]Annulene
CHT
Tropilidene
Identifiers
3D model (JSmol)
506066
ChEBI
ChemSpider
ECHA InfoCard 100.008.061 Edit this at Wikidata
EC Number
  • 208-866-3
1943
UNII
UN number 2603
  • InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 checkY
    Key: CHVJITGCYZJHLR-UHFFFAOYSA-N checkY
  • InChI=1/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
    Key: CHVJITGCYZJHLR-UHFFFAOYAI
  • C1=C\C/C=C\C=C1
Properties
C7H8
Molar mass 92.141 g·mol−1
Appearance Colourless liquid
Density 0.888 g/mL at 25 °C
Melting point −80 °C (−112 °F; 193 K)
Boiling point 116 °C (241 °F; 389 K)
Insoluble in water
Acidity (pKa) 36
Hazards
GHS labelling:
GHS02: FlammableGHS06: ToxicGHS07: Exclamation markGHS08: Health hazard
Danger
H225, H301, H304, H311, H315, H319, H335
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P322, P330, P331, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)

Cycloheptatriene (CHT) is an organic compound with the formula C7H8. It is a closed ring of seven carbon atoms joined by three double bonds (as the name implies) and four single bonds. This colourless liquid has been of recurring theoretical interest in organic chemistry. It is a ligand in organometallic chemistry and a building block in organic synthesis. Cycloheptatriene is not aromatic, as reflected by the nonplanarity of the methylene bridge (-CH2-) with respect to the other atoms; however the related tropylium cation is.

  1. ^ Nomenclature of Organic Chemistry : IUPAC Recommendations and Preferred Names 2013 (Blue Book). Cambridge: The Royal Society of Chemistry. 2014. p. 223. doi:10.1039/9781849733069-FP001. ISBN 978-0-85404-182-4.