4-Hydroxyphenethyl bromide - ≥96% , CAS No.14140-15-9

CAS: 14140-15-9 Cat. No.: H167212 Fórmula: C₈H₉BrO Peso molecular: 201.06 Número CE: 237-989-5

GRAU & PUREZA ≥96%

Synonyms

2-p-hydroxyphenylethyl bromide | 2-(4-hydroxyphenyl)ethyl bromide | Phenol, 4-bromoethyl- | EN300-1896222 | 2-(4-Hydroxyphenyl)-1-bromoethane, 4-(2-Bromoethyl)phenol | SY020164 | EINECS 237-989-5 | 4-Hydroxyphenethyl bromide, 96% | I61CD92KW5 | MFCD001296

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

2-p-hydroxyphenylethyl bromide | 2-(4-hydroxyphenyl)ethyl bromide | Phenol, 4-bromoethyl- | EN300-1896222 | 2-(4-Hydroxyphenyl)-1-bromoethane, 4-(2-Bromoethyl)phenol | SY020164 | EINECS 237-989-5 | 4-Hydroxyphenethyl bromide, 96% | I61CD92KW5 | MFCD001296

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

488186229

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186229

Sorrisos canónicos

C1=CC(=CC=C1CCBr)O

IUPAC Name

4-(2-bromoethyl)phenol

InChIKey

DYYVTFCYVZEQDG-UHFFFAOYSA-N

INCHI

1S/C8H9BrO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2

SMILES isoméricas

C1=CC(=CC=C1CCBr)O

WGK Alemanha

3

Peso molecular

201.06

Reaxy-Rn

2553758

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2553758&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Benzene and substituted derivatives Organooxygen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

MM418 (2 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MM96L (154 Activities)

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CI80-13S cell line (2 Activities)

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Alvos associados (não humanos)

Rattus norvegicus (775804 Activities)

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B16 (5829 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 88-92°C
• Peso molecular: 201.060 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.984 Da
• Monoisotopic Mass: 199.984 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 14140-15-9, the molecular formula is C8H9BrO, and the molecular weight is 201.06 g/mol. InChIKey DYYVTFCYVZEQDG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.