2'-Trifluoromethylphenyl acetylene Structure

2'-Trifluoromethylphenyl acetylene

Chemical Properties

Boiling point 45 °C8 mm Hg(lit.)
Density  1.222 g/mL at 25 °C(lit.)
refractive index  n20/D 1.4760(lit.)
Flash point 78 °F
storage temp.  2-8°C
Appearance Colorless to light yellow Liquid
Water Solubility  Sparingly soluble in water.
InChI InChI=1S/C9H5F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h1,3-6H
InChIKey OOZKONVIIMFOKW-UHFFFAOYSA-N
SMILES C1(C#C)=CC=CC=C1C(F)(F)F
CAS DataBase Reference 704-41-6(CAS DataBase Reference)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)
Signal wordWarning
Hazard statements H226
Precautionary statements P210-P240-P241-P280a-P303+P361+P353-P501a
Hazard Codes  Xi
Risk Statements  10
Safety Statements  26-36/37/39
RIDADR  UN 1993 3/PG 3
WGK Germany  3
Hazard Note  Irritant
HazardClass  3
HS Code  2902900000
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 3
NFPA 704:
2
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2'-Trifluoromethylphenyl acetylene Spectrum