42580-42-7

Name 2,5-Bis(trifluoromethyl)benzoic acid
CAS 42580-42-7
EINECS(EC#) 625-656-0
Molecular Formula C9H4F6O2
MDL Number MFCD00013249
Molecular Weight 258.12
MOL File 42580-42-7.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  78-80 °C(lit.)
Boiling point  248.5±40.0 °C(Predicted)
density  1.527±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
pka 2.80±0.36(Predicted)
InChI 1S/C9H4F6O2/c10-8(11,12)4-1-2-6(9(13,14)15)5(3-4)7(16)17/h1-3H,(H,16,17)
InChIKey PINBPLCVZSKLTF-UHFFFAOYSA-N
SMILES OC(=O)c1cc(ccc1C(F)(F)F)C(F)(F)F
CAS DataBase Reference 42580-42-7(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
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 .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29163990
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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