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Cycloheptatriene

CAS No.544-25-2
Chemical Name:Cycloheptatriene
CBNumber:CB2116321
Molecular Formula:C7H8
Formula Weight:92.14
MOL File:544-25-2.mol

Cycloheptatriene Property

Melting point -79.5°C
Boiling point 116-117 °C (lit.)
Density 0.888 g/mL at 25 °C (lit.)
refractive index n20/D 1.519(lit.)
Flash point 80 °F
storage temp. 2-8°C
solubility Insoluble[in water]
solubility Chloroform (Slightly), Ethanol (Slightly)
form clear liquid
color Colorless to Light orange to Yellow
Water Solubility insoluble
BRN 506066
Dielectric constant 2.54
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

Hazard Codes :F,T
Risk Statements :11-25-36/37/38-65
Safety Statements :16-26-36/37/39-45-62
RIDADR :UN 2603 3/PG 2
WGK Germany :3
RTECS :GU3675000
F :10-23
HazardClass :3
PackingGroup :II
HS Code :29021990

NFPA 704:

	3
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H225-H301+H311-H315-H319-H335-H412
Precautionary statements P210-P273-P280-P301+P310-P303+P361+P353-P305+P351+P338

Cycloheptatriene Price More Price(3)

Brand: Sigma-Aldrich(India)
Product number: C99205
Product name : Cycloheptatriene
Purity: 95%
Packaging: 100ML
Price: ₹12330
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: C99205
Product name : Cycloheptatriene
Purity: 95%
Packaging: 1L
Price: ₹64280.4
Updated: 2022/06/14
Buy: Buy

Brand: TCI Chemicals (India)
Product number: C0572
Product name : 1,3,5-Cycloheptatriene
Purity: min. 95.0 %
Packaging: 25ML
Price: ₹16800
Updated: 2022/05/26
Buy: Buy

Cycloheptatriene Chemical Properties,Usage,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.