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543739-84-0

543739-84-0 Structure

543739-84-0 Structure
IdentificationBack Directory
[Name]

5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
[CAS]

543739-84-0
[Synonyms]

3-(TrifluoroMethyl)pyrazole-4-corboxylic acid
3-(TrifluoroMethyl)pyrazole-4-carboxylic acid
(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
3-(Trifluoromethyl)pyrazole-4-carboxylic acid 97%
5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
1H-Pyrazole-4-carboxylic acid,3-(trifluoromethyl)-
[Molecular Formula]

C5H3F3N2O2
[MDL Number]

MFCD04125015
[MOL File]

543739-84-0.mol
[Molecular Weight]

180.08
Chemical PropertiesBack Directory
[Melting point ]

248-253°C
[Boiling point ]

349.9±42.0 °C(Predicted)
[density ]

1.682±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

solid
[pka]

2.86±0.36(Predicted)
[color ]

Pale yellow
[InChI]

1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)
[InChIKey]

VHKMTORCXXPIFI-UHFFFAOYSA-N
[SMILES]

OC(=O)c1c[nH]nc1C(F)(F)F
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[HS Code ]

2933199090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Uses]

5-(Trifluoromethyl)-1H-pyrazole-4-carboxylic Acid can be used as heteroaromatic inhibitors of astacin proteinases.
Spectrum DetailBack Directory
[Spectrum Detail]

5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID(543739-84-0)1HNMR
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