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946-65-6

Name 3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID
CAS 946-65-6
Molecular Formula C8H5F3O2S
MDL Number MFCD00236337
Molecular Weight 222.18
MOL File 946-65-6.mol
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Chemical Properties

Melting point  71-74 °C (lit.)
Boiling point  229.5±40.0 °C(Predicted)
density  1.50±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  tiny crystalline needles
pka 3.80±0.10(Predicted)
color  White to off white
Sensitive  Stench
InChI 1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChIKey IVGAPIVNQABETQ-UHFFFAOYSA-N
SMILES OC(=O)c1cccc(SC(F)(F)F)c1
CAS DataBase Reference 946-65-6(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/Stench
HS Code  2930909899
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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