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

CAS: 29823-18-5 Cat. No.: E133361 Formule: C₉H₁₇BrO₂ Poids moléculaire: 237.14 Beilstein Registry Number: 2(4)968 Numéro 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,Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

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

Synonymes

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-,

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Protected from light,Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504756872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756872
• Sourires canoniques: 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
• Isomères SMILES: CCOC(=O)CCCCCCBr
• WGK Allemagne: 3
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: light & air sensitive
• Indice de réfraction: 1.46
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 145 °C/22 mmHg
• Point de fusion (°C): 29 °C
• Poids moléculaire: 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

Foire aux questions

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.