C99205

Cycloheptatriene

95%

• Synonym(s): Tropiliden, Tropilidene
• Empirical Formula (Hill Notation): C₇H₈
• CAS Number: 544-25-2
• Molecular Weight: 92.14
• Beilstein/REAXYS Number: 506066
• EC Number: 208-866-3
• MDL number: MFCD00004146
• UNSPSC Code: 12352100
• PubChem Substance ID: 24893206
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 95%
• form: liquid
• refractive index: n20/D 1.519 (lit.)
• bp: 116-117 °C (lit.)
• density: 0.888 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: C1C=CC=CC=C1
• InChI: 1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2
• InChI key: CHVJITGCYZJHLR-UHFFFAOYSA-N

Description

General description

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.

Safety Information

• pictograms: GHS02,GHS06
• signalword: Danger
• hcodes: H225,H301 + H311,H315,H319,H335,H412
• pcodes: P210 - P273 - P280 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338
• 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
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 41.0 °F
• flash_point_c: 5 °C
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter