176969-34-9

Name 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CAS 176969-34-9
EINECS(EC#) 700-093-4
Molecular Formula C6H6F2N2O2
MDL Number MFCD11865267
Molecular Weight 176.121
MOL File 176969-34-9.mol
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Chemical Properties

Melting point  201-203°C
Boiling point  315.9±42.0 °C(Predicted)
density  1.52
vapor pressure  0-0.397Pa at 20-99.7℃
storage temp.  Sealed in dry,Room Temperature
solubility  DMSO (Slightly), Methanol (Sparingly)
form  Solid
pka 3.12±0.36(Predicted)
color  White to Off-White
InChI InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)
InChIKey RLOHOBNEYHBZID-UHFFFAOYSA-N
SMILES N1(C)C=C(C(O)=O)C(C(F)F)=N1
LogP -2.2-0.64 at 20-23℃ and pH2-7.1
Surface tension 70.7mN/m at 1g/L and 20℃
Dissociation constant 3.12-3.89 at 20℃
EPA Substance Registry System 1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl- (176969-34-9)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319-H335-H302+H312+H332-H315
Precautionary statements  P280-P301+P312
REACH Registrations Active
HS Code  2933199090

Hazard Information

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