3-(Trifluoromethyl)pyrazole-4-carboxylic acid - ≥97% , CAS No.543739-84-0

CAS: 543739-84-0 Cat. No.: T138968 Peso molecular: 180.08 Número EC: 684-469-2 PubChem CID: 1473086
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
A889882 | AKOS005258988 | 3-(trifluoromethyl)pyrazole-4-carboxylic acid | DTXSID101021462 | SCHEMBL214467 | BBL104366 | Z432066786 | 1259932-11-0 | AKOS000144043 | TS-02510 | C5H3F3N2O2 | STL415421 | 3-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid | PB4
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
T138968-1g
2
37,90US$
5g
T138968-5g
2
153,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
A889882 | AKOS005258988 | 3-(trifluoromethyl)pyrazole-4-carboxylic acid | DTXSID101021462 | SCHEMBL214467 | BBL104366 | Z432066786 | 1259932-11-0 | AKOS000144043 | TS-02510 | C5H3F3N2O2 | STL415421 | 3-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid | PB4
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥97%
Nombres e identificadores
Pubchem Sid504760497
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504760497
Sonrisas canónicasC1=NNC(=C1C(=O)O)C(F)(F)F
IUPAC Name5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
InChIKeyVHKMTORCXXPIFI-UHFFFAOYSA-N
INCHI1S/C5H3F3N2O2/c6-5(7,8)3-2(4(11)12)1-9-10-3/h1H,(H,9,10)(H,11,12)
Isómeros SMILES C1=NNC(=C1C(=O)O)C(F)(F)F
WGK Alemania 3
PubChem CID 1473086
Peso molecular 180.08

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPyrazole carboxylic acids and derivatives
Alternative Parents Vinylogous amides  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Alkyl fluorides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Pyrazole-4-carboxylic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeFechaArticulo
K2111970Certificate of AnalysisAug 14, 2024 T138968
J2311179Certificate of AnalysisSep 20, 2023 T138968
J2311180Certificate of AnalysisSep 20, 2023 T138968
J2311181Certificate of AnalysisSep 20, 2023 T138968
I1925183Certificate of AnalysisJul 21, 2022 T138968
Propiedades químicas y físicas
Punto de fusión (°C)248-253°C
Peso molecular180.080 g/mol
XLogP30.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass180.015 Da
Monoisotopic Mass180.015 Da
Topological Polar Surface Area66.000 Ų
Heavy Atom Count12
Formal Charge0
Complexity194.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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