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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid - ≥97% , CAS No.46413-66-5
Synonyms
AKOS025394694 | EN300-13028 | AKOS000266377 | 3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid, 97% | VU0607297-1 | AB12674 | BB 0239270 | Z56795085 | BS-4864 | FT-0679248 | 5-(4-Bromo-phenyl)-2H-pyrazole-3-carboxyli c acid | STK501289 | DTXSID701008638 |
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
AKOS025394694 | EN300-13028 | AKOS000266377 | 3-(4-Bromophenyl)-1H-pyrazole-5-carboxylic acid, 97% | VU0607297-1 | AB12674 | BB 0239270 | Z56795085 | BS-4864 | FT-0679248 | 5-(4-Bromo-phenyl)-2H-pyrazole-3-carboxyli c acid | STK501289 | DTXSID701008638 |
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488194980 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488194980 Sonrisas canónicas C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)Br IUPAC Name 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid InChIKey QEOVHDPWTQAMLB-UHFFFAOYSA-N INCHI 1S/C10H7BrN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15) Isómeros SMILES C1=CC(=CC=C1C2=NNC(=C2)C(=O)O)Br WGK Alemania 3 Peso molecular 267.08 Reaxy-Rn 12224555 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12224555&ln=
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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Pyrazole carboxylic acids and derivatives Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpyrazole - Pyrazole-3-carboxylic acid or derivatives - Pyrazole-5-carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de fusión (°C) 258-262 °C (lit.) Peso molecular 267.080 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 265.969 Da Monoisotopic Mass 265.969 Da Topological Polar Surface Area 66.000 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 242.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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