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3-(4-Bromophenyl)prop-2-yn-1-ol - ≥97% , CAS No.37614-58-7
Disponível para encomenda
GRADE & PURITY ≥97%
Storage
Room temperature
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Why this grade
≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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
Especificações e pureza
≥97%
Condições de armazenamento de armazenamento
Room temperature
Pureza
≥97%
Nomes e identificadores
| Sorrisos canónicos | C1=CC(=CC=C1C#CCO)Br |
|---|---|
| IUPAC Name | 3-(4-bromophenyl)prop-2-yn-1-ol |
| InChIKey | XXVUZDYGEDBOHT-UHFFFAOYSA-N |
| INCHI | 1S/C9H7BrO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2 |
| SMILES isoméricas | C1=CC(=CC=C1C#CCO)Br |
| PubChem CID | 4048181 |
| Peso molecular | 211.058 |
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 →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Classe Benzene and substituted derivatives
- Subclass Halobenzenes
- Classe Benzene and substituted derivatives
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bromobenzenes |
| Alternative Parents | Aryl bromides Primary alcohols Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Bromobenzene - Aryl halide - Aryl bromide - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring. |
| External Descriptors | Not available |
Estrutura 3D
Modelo de Estrutura Química Interativa
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 | 211.050 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 209.968 Da |
| Monoisotopic Mass | 209.968 Da |
| Topological Polar Surface Area | 20.200 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 168.000 |
| 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 |
Calculadoras de soluções
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