Cycloheptatriene
- CAS No.
- 544-25-2
- Chemical Name:
- Cycloheptatriene
- Synonyms
- 1,3,5-CYCLOHEPTATRIENE;Cyclohepta-1,3,5-triene;CHT;TROPILIDENE;1,3,5-Cycloheptariene;1，3，5-Cycioheptatriene;TropiL;Tropilidin;tropiliden;Tropylidene
- CBNumber:
- CB2116321
- Molecular Formula:
- C7H8
Lewis structure
- Molecular Weight:
- 92.14
- MDL Number:
- MFCD00004146
- MOL File:
- 544-25-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | -79.5°C |
|---|---|
| Boiling point | 116-117 °C (lit.) |
| Density | 0.888 g/mL at 25 °C (lit.) |
| refractive index |
n |
| Flash point | 80 °F |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Ethanol (Slightly) |
| form | clear liquid |
| color | Colorless to Light orange to Yellow |
| Water Solubility | insoluble |
| BRN | 506066 |
| Henry's Law Constant | 2.2×10-3 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) |
| Dielectric constant | 2.54 |
| InChI | 1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-N |
| SMILES | C1C=CC=CC=C1 |
| LogP | 2.630 |
| CAS DataBase Reference | 544-25-2(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | P58Q106NTF |
| NIST Chemistry Reference | 1,3,5-Cycloheptatriene(544-25-2) |
| EPA Substance Registry System | 1,3,5-Cycloheptatriene (544-25-2) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS02,GHS06,GHS08 |
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|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H301+H311-H315-H319-H304-H412-H225 | |||||||||
| Precautionary statements | P501-P273-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P331-P337+P313-P305+P351+P338-P361+P364-P303+P361+P353-P332+P313-P301+P310+P330-P403+P235-P405 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | F,T | |||||||||
| Risk Statements | 11-25-36/37/38-65 | |||||||||
| Safety Statements | 16-26-36/37/39-45-62 | |||||||||
| RIDADR | UN 2603 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | GU3675000 | |||||||||
| F | 10-23 | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29021990 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Oral Aquatic Chronic 3 Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3 |
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| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704 |
|
Cycloheptatriene price More Price(18)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | C99205 | Cycloheptatriene 95% | 544-25-2 | 100ml | $209 | 2026-04-30 | Buy |
| Sigma-Aldrich | C99205 | Cycloheptatriene 95% | 544-25-2 | 1l | $1780 | 2026-04-30 | Buy |
| TCI Chemical | C0572 | 1,3,5-Cycloheptatriene >95.0%(GC) | 544-25-2 | 25mL | $266 | 2026-04-30 | Buy |
| Biosynth | FC60817 | 1,3,5-Cycloheptatriene | 544-25-2 | 50g | $207.5 | 2026-06-04 | Buy |
| Biosynth | FC60817 | 1,3,5-Cycloheptatriene | 544-25-2 | 100g | $324 | 2026-06-04 | Buy |
Cycloheptatriene Chemical Properties, Uses, Production
Chemical Properties
Cycloheptatriene is a clear yellow to brownish liquid. Insoluble in water and less dense than water. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. It is a ligand in organometallic chemistry and as a building block in organic synthesis. Cycloheptatriene is not aromatic, as reflected by the nonplanarity of the methylene bridge with respect to the other atoms.
Uses
1,3,5-Cycloheptatriene functions as a ligand in organometallic chemistry and also as a building block in organic synthetic processes. 1,3,5-Cycloheptatriene is applied in cycloheptatrienyl transition zirconium complexes formation and in other organic complex formation processes.
Definition
ChEBI: A cycloheptatriene with unsaturation at positions 1, 3 and 5.
Synthesis Reference(s)
Journal of the American Chemical Society, 81, p. 5009, 1959 DOI: 10.1021/ja01527a075
Tetrahedron, 21, p. 1673, 1965 DOI: 10.1016/S0040-4020(01)98637-5
General Description
A colorless liquid. Insoluble in water and less dense than water. Flash point 35°F. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.
Air & Water Reactions
Highly flammable. Insoluble in water.
Reactivity Profile
Cycloheptatriene may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions.
Health Hazard
TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
Fire Hazard
HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
Safety Profile
Poison by ingestion and skin contact. Mutation data reported. A very dangerous fire hazard when exposed to heat, flame, or oxidzers. Potentially violent reaction with nitrogen monoxide. Whenheated to decomposition it emits acrid smoke and fumes.
Purification Methods
Wash the triene with alkali, then fractionally distil it. Store it under N2 or Ar as it resinifies in air. [Dryden J Am Chem Soc 76 2814 1954, Kohler et al. J Am Chem Soc 61 1057 1939, Beilstein 5 IV 280.]
Toxics Screening Level
The initial threshold screening level (ITSL) for 1,3,5-cycloheptatriene is 0.18 μg/m3 with an annual averaging time.
Cycloheptatriene Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| ZHEJIANG ZETIAN FINE CHEMICALS CO.,LTD | 0571-87322520 18957127338 | sales@zetchem.com | China | 466 | 55 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 | |
| Tianjin heowns Biochemical Technology Co., Ltd. | 400 638 7771 | sales@heowns.com | China | 14412 | 57 |
| Maya High Purity Chemicals | +86 (573) 82222445 (0)18006601000 452520369 | sales@maya-r.com | China | 11693 | 57 |
View Latest Price from Cycloheptatriene manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-17 | Cycloheptatriene
544-25-2
|
$20.00 | 25kg | 90% | 200/drum or as request | Speranza Chemical Co., Ltd. | |
 |
2026-09-02 | Cycloheptatriene
544-25-2
|
$1.00-100.00 | 1KG | 99% | Henan Fengda Chemical Co., Ltd | ||
 |
2019-12-26 | Cycloheptatriene
544-25-2
|
$2.00 | 1KG | 98%MIN | Career Henan Chemical Co |
-
- Cycloheptatriene
544-25-2
- $20.00
- 90%
- Speranza Chemical Co., Ltd.
-
- Cycloheptatriene
544-25-2
- $1.00-100.00
- 99%
- Henan Fengda Chemical Co., Ltd
-
- Cycloheptatriene
544-25-2
- $2.00
- 98%MIN
- Career Henan Chemical Co
