Cycloheptatriene

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.

Cycloheptatriene
Names
Preferred IUPAC name
Cyclohepta-1,3,5-triene
Other names
1,3,5-Cycloheptatriene
1H-[7]Annulene
CHT
Tropilidene
Identifiers
3D model (JSmol)
506066
ChEBI
ChemSpider
ECHA InfoCard 100.008.061
EC Number
  • 208-866-3
1943
UNII
UN number 2603
  • InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 Y
    Key: CHVJITGCYZJHLR-UHFFFAOYSA-N Y
  • 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:
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).
Y verify (what is YN ?)
Infobox references
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