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Pentafluorobenzoic acid Structure

Pentafluorobenzoic acid

Chemical Properties

Melting point 100-102 °C (lit.)
Boiling point 220 °C (lit.)
Density  1,944 g/cm3
Flash point 219-221°C
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Soluble), Methanol (Slightly)
pka 1.75(at 25℃)
form  crystal
color  white
BRN  2054395
InChI InChI=1S/C7HF5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChIKey YZERDTREOUSUHF-UHFFFAOYSA-N
SMILES C(O)(=O)C1=C(F)C(F)=C(F)C(F)=C1F
CAS DataBase Reference 602-94-8(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, pentafluoro-(602-94-8)
EPA Substance Registry System Benzoic acid, pentafluoro- (602-94-8)

Safety Information

Hazard Codes  T,Xi
Risk Statements  25-36/37/38
Safety Statements  26-45-36/37/39-24/25
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  DH6195000
TSCA  T
HazardClass  IRRITANT
HS Code  29163900
Toxicity LD50 ipr-mus: 178 mg/kg JMCMAR 11,1020,68

MSDS

Usage And Synthesis

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