- 1,3-Cyclohexadiene
Chembox new
ImageFile = 1-3-cyclohexadiene.png
ImageSize = 240px
ImageFileL1 = 1,3-cyclohexadiene-3D-balls.png
ImageFileR1 = 1,3-cyclohexadiene-3D-vdW.png
IUPACName = Cyclohexa-1,3-diene
OtherNames = 1,3-Cyclohexadiene, 1,2-Dihydrobenzene, 1,3-CHD
Section1 = Chembox Identifiers
CASNo = 592-57-4
PubChem = 11605
SMILES = C1CC=CC=C1
InChI = 1/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2
RTECS = GU4702350
ChEBI = 37610
Section2 = Chembox Properties
Formula = C6H8
MolarMass = 80.13 g/mol
Appearance = Colourless liquid
Density = 0.841 g/cm³
MeltingPt = -98 °C
BoilingPt = 80 °C
Solubility =
Section7 = Chembox Hazards
EUClass = Flammable (F)
MainHazards =
RPhrases = R11
SPhrases = S9, S16, S29, S33
FlashPt = 26 °C c.c.
Autoignition =1,3-Cyclohexadiene is a highly
flammable cycloalkene that occurs as a colorless clear liquid. Its refractive index is 1.475 (20 °C, D).It can be used as a hydrogen donor in
transfer hydrogenation , since its conversion to benzene + hydrogen is in fact exothermic (-24.3 kJ/mol in the gas phase, as indicated by heats of hydrogenation).cite web|url=http://webbook.nist.gov/cgi/cbook.cgi?ID=C592574&Units=SI&Mask=8#Thermo-React|title=1,3-Cyclohexadiene|publisher=US National Institute of Standards and Technology|date=2007-04-13|accessdate=2007-04-13] cite web|url=http://webbook.nist.gov/cgi/cbook.cgi?ID=C71432&Units=SI&Mask=8&StartReac=50#Thermo-React|title=Benzene|publisher=US National Institute of Standards and Technology|date=2007-04-13|accessdate=2007-04-13] Despite this apparent instability with respect to benzene, the 1,3-cyclohexadiene motif is found in several natural products such as α-terpinene .ee also
*
Benzene
*Cyclohexane
*1,2-Cyclohexadiene
*1,4-Cyclohexadiene
*Cyclohexene References
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