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4-bromo-1-(2-phenylethyl)-1H-pyrazole , CAS No.261948-25-8

4-bromo-1-(2-phenylethyl)-1H-pyrazole , CAS No.261948-25-8

Name: 4-bromo-1-(2-phenylethyl)-1H-pyrazole , CAS No.261948-25-8
SKU: B931445
Availability: InStock

CAS: 261948-25-8 Cat. No.: B931445 Fórmula: C₁₁H₁₁BrN₂ Peso molecular: 251.120

COA

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Disponível para encomenda

Storage

Room temperature

Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

Sorrisos canónicos	C1=CC=C(C=C1)CCN2C=C(C=N2)Br
IUPAC Name	4-bromo-1-(2-phenylethyl)pyrazole
InChIKey	UKNXOODQHSSASK-UHFFFAOYSA-N
INCHI	1S/C11H11BrN2/c12-11-8-13-14(9-11)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
Peso molecular	251.120

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Classe Aryl halides
    - Subclass Aryl bromides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Classe	Aryl halides
Subclass	Aryl bromides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl bromides
Alternative Parents	Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenoid - Monocyclic benzene moiety - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Estrutura 3D

Certificados（CoA,COO,BSE/TSE e Mapa de Análise)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propriedades químicas e físicas

Peso molecular	251.120 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	250.011 Da
Monoisotopic Mass	250.011 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	169.000
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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Revisões

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