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602-94-8

Name Pentafluorobenzoic acid
CAS 602-94-8
EINECS(EC#) 210-026-6
Molecular Formula C7HF5O2
MDL Number MFCD00002406
Molecular Weight 212.07
MOL File 602-94-8.mol

Chemical Properties

Appearance white to light yellow crystal powder
Melting point  100-102 °C (lit.)
Boiling point  220 °C (lit.)
density  1,944 g/cm3
Fp  219-221°C
storage temp.  Sealed in dry,Room Temperature
form  crystal
pka 1.75(at 25℃)
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 602-94-8(EPA Substance)

Safety Data

Hazard Codes  T,Xi
Risk Statements 
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  DH6195000
Hazard Note  Irritant
TSCA  T
HazardClass  IRRITANT
HS Code  29163900
Toxicity
LD50 ipr-mus: 178 mg/kg JMCMAR 11,1020,68

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