≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1,3-Cycloheptadiene is a 1,3-cycloalkadiene.Isomerization of highly strained (E,E)-1,3-cycloheptadiene was investigated through double bond rotation, and electrocyclic ring closure. [1,5] Sigmatropic hydrogen shifts in 1,3-cyclohepatdiene were studied by density functional calculations.
Application：
1,3-Cycloheptadiene was used in the preparation of enantiopure epoxy cycloheptenyl sulfones.
| Canonical Smiles | C1CC=CC=CC1 |
|---|---|
| IUPAC Name | cyclohepta-1,3-diene |
| InChIKey | GWYPDXLJACEENP-UHFFFAOYSA-N |
| INCHI | 1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2 |
| Isomeric SMILES | C1CC=CC=CC1 |
| WGK Germany | 3 |
| UN Number | 3295 |
| Packing Group | II |
| Molecular Weight | 94.15 |
| Beilstein | 1847600 |
| Reaxy-Rn | 1847604 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1847604&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Hydrocarbons |
| Class | Unsaturated hydrocarbons |
| Subclass | Olefins |
| Intermediate Tree Nodes | Cyclic olefins |
| Direct Parent | Cycloalkenes |
| Alternative Parents | Unsaturated aliphatic hydrocarbons |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond. |
| External Descriptors | Not available |
| Refractive Index | n20/D 1.498 (lit.) |
|---|---|
| Flash Point(°F) | 51.8 °F |
| Flash Point(°C) | 11 °C |
| Boil Point(°C) | 120-121 °C (lit.) |
| Molecular Weight | 94.150 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 94.0783 Da |
| Monoisotopic Mass | 94.0783 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 76.200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
G2524315