Ethyl 7-Bromoheptanoate - ≥97% , CAS No.29823-18-5

CAS: 29823-18-5 Cat. No.: E133361 Fórmula: C₉H₁₇BrO₂ Peso molecular: 237.14 Beilstein Registry Number: 2(4)968 Número CE: 249-883-6

GRADE & PURITY ≥97%

Synonyms

SY009331 | EC 249-883-6 | F11933 | C72867 | B1880 | Ethyl 7-bromoheptanoate, 97% | M5QR4GAP1S | STR06903 | OOBFNDGMAGSNKA-UHFFFAOYSA-N | SCHEMBL318062 | BCP15664 | ETHYL-7-BROMOHEPTANOATE | OOBFNDGMAGSNKA-UHFFFAOYSA- | AC 0010 | Heptanoic acid, 7-bromo-,

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Visão geral

Ethyl 7-bromoheptanoate is a bromoester. It is used as an alkylating agent for organic compounds.It participates in the synthesis of ω-chain shortened prostaglandins.
Ethyl 7-bromoheptanoate may be used in the following studies:As a starting material in the synthesis of benzyl 7-iodoheptanoate.As one of the reactant in the synthesis of diethyl 7,7′-(2,5-diiodo-1,4-phenylene)bis(oxy)diheptanoate.As one of the reagent in the synthesis of CarnDOD-7C, a carnitine-derived nitrone.As an alkylating agent in the alkylation of ethyl 3-oxoglutarate to form 2-(6-ethoxycarbonylhexyl)-3-oxoglutarate.Synthesis of 1-substituted cyclopentadiene by alkylating lithium cyclopentadienide.

Specifications

Sinónimos

SY009331 | EC 249-883-6 | F11933 | C72867 | B1880 | Ethyl 7-bromoheptanoate, 97% | M5QR4GAP1S | STR06903 | OOBFNDGMAGSNKA-UHFFFAOYSA-N | SCHEMBL318062 | BCP15664 | ETHYL-7-BROMOHEPTANOATE | OOBFNDGMAGSNKA-UHFFFAOYSA- | AC 0010 | Heptanoic acid, 7-bromo-,

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504756872

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756872

Sorrisos canónicos

CCOC(=O)CCCCCCBr

IUPAC Name

ethyl 7-bromoheptanoate

InChIKey

OOBFNDGMAGSNKA-UHFFFAOYSA-N

INCHI

1S/C9H17BrO2/c1-2-12-9(11)7-5-3-4-6-8-10/h2-8H2,1H3

SMILES isoméricas

CCOC(=O)CCCCCCBr

WGK Alemanha

3

Peso molecular

237.14

Beilstein

2(4)968

Reaxy-Rn

1760290

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• Sensibilidade: light & air sensitive
• Índice de refração: 1.46
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 145 °C/22 mmHg
• Ponto de fusão (°C): 29 °C
• Peso molecular: 237.130 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 236.041 Da
• Monoisotopic Mass: 236.041 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 115.000
• 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

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, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 29823-18-5, the molecular formula is C9H17BrO2, and the molecular weight is 237.14 g/mol. InChIKey OOBFNDGMAGSNKA-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.