113100-53-1

Name 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
CAS 113100-53-1
EINECS(EC#) 601-232-0
Molecular Formula C6H5F3N2O2
MDL Number MFCD01936005
Molecular Weight 194.11
MOL File 113100-53-1.mol

Chemical Properties

Melting point  203 °C
Boiling point  285.6±40.0 °C(Predicted)
density  1.56±0.1 g/cm3(Predicted)
storage temp.  Keep in dark place,Inert atmosphere,Room temperature
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 2.93±0.36(Predicted)
color  White to Off-White
InChI InChI=1S/C6H5F3N2O2/c1-11-2-3(5(12)13)4(10-11)6(7,8)9/h2H,1H3,(H,12,13)
InChIKey FZNKJQNEJGXCJH-UHFFFAOYSA-N
SMILES N1(C)C=C(C(O)=O)C(C(F)(F)F)=N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  2
Hazard Note  Irritant
HazardClass  IRRITANT
HS Code  29331990
Storage Class 11 - Combustible Solids

Hazard Information

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