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2-METHYL-3-(TRIFLUOROMETHYL)BENZOIC ACID Structure

2-METHYL-3-(TRIFLUOROMETHYL)BENZOIC ACID

Chemical Properties

Melting point 106-109℃
Boiling point 256.8±40.0 °C(Predicted)
Density  1.345±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  crystalline powder
pka 3.52±0.10(Predicted)
color  White
InChI InChI=1S/C9H7F3O2/c1-5-6(8(13)14)3-2-4-7(5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKey SSCFPSMXIDAJDT-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC(C(F)(F)F)=C1C
CAS DataBase Reference 62089-35-4(CAS DataBase Reference)

Safety Information

Hazard Codes  Xi,Xn
Risk Statements  36/37/38-36-22
Safety Statements  26-36
Hazard Note  Irritant
HS Code  2916310090

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