Basic information
- CAS
544-25-2- Standard SMILES
C1=CC=CCC=C1- InChIKey
CHVJITGCYZJHLR-UHFFFAOYSA-N- Molecular formula
- C7H8
- Average molar mass
- 92.14 g/mol
- Monoisotopic mass
- 92.06260026
Overview
Cycloheptatriene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.
Names & identifiers
- Preferred name
- Cycloheptatriene
- IUPAC
- cyclohepta-1,3,5-triene
- English name
- Cycloheptatriene
- Molecular formula
- C7H8
- Molecular weight
- 92.14
Names & synonyms
Cycloheptatriene544-25-21,3,5-CYCLOHEPTATRIENETropilideneTropilidineTropilidenP58Q106NTFDTXSID5073909RefChem:129514DTXCID7041708208-866-3Cyclohepta-1,3,5-triene
Show more names
CHT1,3,5-Cycloheptariene1，3，5-CycioheptatrieneTropiLTropilidinTropylidene
CycloheptatrienTropylidenZykloheptatrien1H-[7]annuleneMFCD00004146Cycloheptatriene; Tropiliden; TropilideneEINECS 208-866-3UN2603
Database identifiers
- CAS
544-25-2- PubChem CID
- 11000
- DTXSID
DTXSID5073909- ChEBI
CHEBI:37519- UNII
- P58Q106NTF
- EC Number
- 208-866-3
- Nikkaji
- J14.160G、J2.695.164J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Aliphatics, Unsaturated
Flammable agents - 3rd degree
SpringerMaterials PropertiesCoriolis coupling
LogP2.63
Vapor Pressure23.5 [mmHg]
Physical Description
Cycloheptatriene appears as a colorless liquid. Insoluble in water and less dense than water. Vapors heavier than air. Inhalation of high concentrations may have a narcotic effect. Used to make other chemicals.
Colorless liquid; [CAMEO] Yellow liquid with an unpleasant odor; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- -79.5 °C · -79.5°C
- Boiling point
- 116 · 116-117 °C (lit.)
- Density
- 0.888 g/mL · 0.888 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.519(lit.)
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P331, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3,5-Cycloheptatriene
1,3,5-Cycloheptatriene: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid Poison
Fire Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 131 [Flammable Liquids - Toxic]:
· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.
Hazards Summary
Causes convulsions, regional or general arteriolar constriction, and hemorrhage in oral lethal-dose studies of rats and mice; [RTECS] May polymerize; May be narcotic at high concentrations; [CAMEO] A skin and strong eye irritant; Highly toxic by ingestion; Toxic by skin absorption; An aspiration hazard by ingestion (may cause lung injury); [Alfa Aesar MSDS] See Cyclohexene.
Chemistry & industry
Uses & manufacturing
UsesUsed to make other chemicals; [CAMEO]
Applications
Uses1,3,5-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.
General DescriptionA 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.
Upstream & downstream products
Downstream products
Suppliers70 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Related reactions
12 records
Compound notes
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