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Cycloheptatriene Structure

Cycloheptatriene

Chemical Properties

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  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)
NIST Chemistry Reference 1,3,5-Cycloheptatriene(544-25-2)
EPA Substance Registry System 1,3,5-Cycloheptatriene (544-25-2)

Safety Information

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

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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