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C99205

Cycloheptatriene

95%

Synonym(s):

Tropiliden, Tropilidene

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About This Item

Empirical Formula (Hill Notation):
C7H8
CAS Number:
544-25-2
Molecular Weight:
92.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893206
EC Number:
208-866-3
Beilstein/REAXYS Number:
506066
MDL number:
MFCD00004146
Assay:
95%
Form:
liquid
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Quality Segment

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

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.

pictograms

FlameSkull and crossbones
GHS02,GHS06

signalword

Danger

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

WGK 1

flash_point_f

41.0 °F

flash_point_c

5 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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