115754-21-7

Name 3-FLUORO-4-(TRIFLUOROMETHYL)BENZOIC ACID
CAS 115754-21-7
EINECS(EC#) 624-783-9
Molecular Formula C8H4F4O2
MDL Number MFCD00236279
Molecular Weight 208.11
MOL File 115754-21-7.mol
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Chemical Properties

Appearance White to off-white crystalline powder
Melting point  174-179 °C (lit.)
Boiling point  251℃
density  1.489
Fp  106℃
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 3.35±0.10(Predicted)
color  White to Off-White
InChI InChI=1S/C8H4F4O2/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H,13,14)
InChIKey HRIHSNPFVGMAKX-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=C(C(F)(F)F)C(F)=C1
CAS DataBase Reference 115754-21-7(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 .
S36:Wear suitable protective clothing .
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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