58808-59-6

Name 4-(TRIFLUOROACETYL)BENZOIC ACID
CAS 58808-59-6
Molecular Formula C9H5F3O3
MDL Number MFCD00052340
Molecular Weight 218.13
MOL File 58808-59-6.mol

Chemical Properties

Melting point  178 °C
Boiling point  313.5±42.0 °C(Predicted)
density  1.455±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  powder
pka 3.40±0.10(Predicted)
color  White
Sensitive  Hygroscopic
BRN  2728778
InChI 1S/C9H5F3O3/c10-9(11,12)7(13)5-1-3-6(4-2-5)8(14)15/h1-4H,(H,14,15)
InChIKey WLTZCRCZDLLXQP-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(cc1)C(=O)C(F)(F)F
CAS DataBase Reference 58808-59-6(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  2918999090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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