Cyclohexa-1,3-diene
Properties
- Molecular formula
- C6H8
- Molar mass
- 80.13 g/mol
- Exact mass
- 80.0626 Da
- Density
- 0.84 g/mL
- Melting point
- −89 °C
- Boiling point
- 81 °C
- Flash point
- 26 °C (closed cup)
- logP
- 1.89Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H335 May cause respiratory irritation14.6% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
592-57-4SMILES
C1=CCCC=C1InChIKey
MGNZXYYWBUKAII-UHFFFAOYSA-NInChI
InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- 1,3-Cyclohexadiene
- Benzene, dihydro-
Reactions
Work with Cyclohexa-1,3-diene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,3,5-Cyclooctatriene1871-52-989 % similar
1,3-Cyclooctadiene1700-10-364 % similar
1,3-Cyclooctadiene3806-59-564 % similar
1,5-Cyclooctadiene111-78-456 % similar
1,5-Cyclooctadiene1552-12-156 % similar
1,5,9-Cyclododecatriene4904-61-456 % similar
Trans,trans,trans-1,5,9-Cyclododecatriene676-22-256 % similar
Cyclododecatriene706-31-056 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds