Ethyl 4-(4-bromophenyl)butanoate - ≥97% , CAS No.105986-54-7

CAS: 105986-54-7 Cat. No.: E189531 Fórmula: C₁₂H₁₅BrO₂ Peso molecular: 271.15

GRADE & PURITY ≥97%

Synonyms

DS-4368 | 4-(4-bromo-phenyl)-butyric acid ethyl ester | Ethyl 4-(4-bromophenyl)butanoate | DTXSID70512004 | SY114344 | A895915 | ethyl4-(4-bromophenyl)butanoate | KCLNIIVASYXCES-UHFFFAOYSA-N | SCHEMBL2291044 | AKOS016009241 | SB30435 | MFCD16037424

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DS-4368 | 4-(4-bromo-phenyl)-butyric acid ethyl ester | Ethyl 4-(4-bromophenyl)butanoate | DTXSID70512004 | SY114344 | A895915 | ethyl4-(4-bromophenyl)butanoate | KCLNIIVASYXCES-UHFFFAOYSA-N | SCHEMBL2291044 | AKOS016009241 | SB30435 | MFCD16037424

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CCOC(=O)CCCC1=CC=C(C=C1)Br

IUPAC Name

ethyl 4-(4-bromophenyl)butanoate

InChIKey

KCLNIIVASYXCES-UHFFFAOYSA-N

INCHI

1S/C12H15BrO2/c1-2-15-12(14)5-3-4-10-6-8-11(13)9-7-10/h6-9H,2-5H2,1H3

SMILES isoméricas

CCOC(=O)CCCC1=CC=C(C=C1)Br

Peso molecular

271.15

Reaxy-Rn

2269891

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2269891&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Fatty acid esters Aryl bromides Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - 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

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

Propriedades químicas e físicas

• Peso molecular: 271.150 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 270.026 Da
• Monoisotopic Mass: 270.026 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 186.000
• 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

Perguntas frequentes

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 105986-54-7, the molecular formula is C12H15BrO2, and the molecular weight is 271.15 g/mol. InChIKey KCLNIIVASYXCES-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.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.