544-25-2

Name Cycloheptatriene
CAS 544-25-2
EINECS(EC#) 208-866-3
Molecular Formula C7H8
MDL Number MFCD00004146
Molecular Weight 92.14
MOL File 544-25-2.mol

Chemical Properties

Appearance clear yellow to brownish liquid
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.)
Fp  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
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 544-25-2(EPA Substance)

Safety Data

Symbol(GHS)  Flame (GHS02)Skull and Crossbones (GHS06)
GHS02,GHS06
Signal word  Danger
Hazard statements  H225-H301+H311-H315-H319-H335-H412
Precautionary statements  P210-P273-P280-P301+P310-P303+P361+P353-P305+P351+P338
Hazard Codes  F,T
Risk Statements 
R11:Highly Flammable.
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R65:Harmful: May cause lung damage if swallowed.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
RIDADR  UN 2603 3/PG 2
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
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.

Hazard Information

Material Safety Data Sheet(MSDS)

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