ChemicalBook--->CAS DataBase List--->176969-34-9

176969-34-9

176969-34-9 Structure

176969-34-9 Structure
IdentificationBack Directory
[Name]

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
[CAS]

176969-34-9
[Synonyms]

Fluxypyroxad Metabolite M700F001
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxyl
3-(difluoromethyl)-1-methylpyrazole-4-carboxylicaci
3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid
3-Difluoromethyl-1-methyl-1H-pyrazol-4-carboxylic acid
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
1H-Pyrazole-4-carboxylicacid, 3-(difluoroMethyl)-1-Methyl-
[EINECS(EC#)]

700-093-4
[Molecular Formula]

C6H6F2N2O2
[MDL Number]

MFCD11865267
[MOL File]

176969-34-9.mol
[Molecular Weight]

176.121
Chemical PropertiesBack Directory
[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 DataBack Directory
[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 InformationBack Directory
[Chemical Properties]

Light brown powder
[Uses]

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid can be used to prepare pesticides.
[Synthesis]

Ethyl N,N-dimethylaminoacrylate was synthesized by oxidation, esterification and addition using propargyl alcohol as the starting material under mild conditions, with high yield, and the raw materials and solvents used were cheap and easy to be obtained,
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid(176969-34-9)1HNMR
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid(176969-34-9)FT-IR
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