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

CAS: 105986-54-7 Cat. No.: E189531 Formula: C₁₂H₁₅BrO₂ Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CCOC(=O)CCCC1=CC=C(C=C1)Br
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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

Domande frequenti

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.