Contains 0.02%-0.15% BHT
Application：
Cycloheptatriene can be used as a reactant to synthesize:
2-Hydroxyazulene via [2+2] cycloaddition reaction with dichloroketene, and subsequent ring expansion reaction with diazomethane.
7-Alkyl-bicyclo[4.2.1]nona-2,4,7-trienes by cobalt catalyzed [6+2] cycloaddition with terminal alkynes.
(3,5-Cycloheptadienyl)diphenylphosphine ligand by reacting with diphenylphosphine.
| Canonical Smiles | C1C=CC=CC=C1 |
|---|---|
| IUPAC Name | cyclohepta-1,3,5-triene |
| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-N |
| INCHI | 1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| Isomeric SMILES | C1C=CC=CC=C1 |
| WGK Germany | 3 |
| RTECS | GU3675000 |
| UN Number | 2603 |
| Packing Group | II |
| Molecular Weight | 92.14 |
| Beilstein | 5280 |
| Reaxy-Rn | 506066 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506066&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 | cycloheptatriene - annulene |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2308339 | Certificate of Analysis | Jun 06, 2025 | C135183 |
| I2308340 | Certificate of Analysis | Jun 06, 2025 | C135183 |
| I2308341 | Certificate of Analysis | Jun 06, 2025 | C135183 |
| G2326354 | Certificate of Analysis | May 07, 2025 | C135183 |
| G2326432 | Certificate of Analysis | May 07, 2025 | C135183 |
| D2518295 | Certificate of Analysis | Mar 24, 2025 | C135183 |
| D2518296 | Certificate of Analysis | Mar 24, 2025 | C135183 |
| D2518297 | Certificate of Analysis | Mar 24, 2025 | C135183 |
| L2203313 | Certificate of Analysis | Sep 18, 2024 | C135183 |
| B2512062 | Certificate of Analysis | Aug 22, 2023 | C135183 |
| G2326408 | Certificate of Analysis | Jul 07, 2023 | C135183 |
| L2203310 | Certificate of Analysis | Nov 18, 2022 | C135183 |
| L2203312 | Certificate of Analysis | Nov 18, 2022 | C135183 |
| H2212114 | Certificate of Analysis | Jul 29, 2022 | C135183 |
| H2212137 | Certificate of Analysis | Jul 29, 2022 | C135183 |
| H2212138 | Certificate of Analysis | Jul 29, 2022 | C135183 |
| Solubility | Soluble in water (0.62 mg/ml at 20 °C), chloroform, ether, ethanol, and benzene., |
|---|---|
| Sensitivity | Heat & Moisture & Air sensitive. |
| Refractive Index | 1.52 |
| Flash Point(°F) | 37.4 °F |
| Flash Point(°C) | 4°C(lit.) |
| Boil Point(°C) | 116-117°C |
| Melt Point(°C) | -80°C |
| Molecular Weight | 92.140 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 0 |
| Exact Mass | 92.0626 Da |
| Monoisotopic Mass | 92.0626 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 102.000 |
| 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 |
| 1. Ruiya Zhou, Juan Liu, Chi Zhou, Xu Zhang. (2023) Phototransformation of Lignin-related Compounds in Chromophoric Dissolved Organic Matter Solutions. WATER RESEARCH, [PMID:37717330] [10.1016/j.watres.2023.120586] |
| 2. Liying Yang, Xinyu Yang, Jiatai Guo, Zhengyi Yang, Yuhang Du, Qiqi Lu, Guohua Zhong. (2024) Invasive plant-derived biochar for sustainable bioremediation of pesticide contaminated soil. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2024.148689] |
