Methyl 6-bromohexanoate - ≥96% , CAS No.14273-90-6

CAS: 14273-90-6 Cat. No.: M138219 Formula: C₇H₁₃BrO₂ Peso molecolare: 209.08 Numero EC: 604-307-6

GRADE & PURITY ≥96%

Synonyms

J-007690 | FT-0628687 | AMY17985 | SCHEMBL26285 | 6-bromo-2-methyl-hexanoate;Methyl 6-Bromohexanoate | 6-Bromo-henxanoic acid methyl ester | SY018348 | AS-17534 | MFCD00187528 | Methyl 6-bromohexanoate | methyl 6-bromo-hexanoate | A807958 | METHYL-6-BROMO

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

J-007690 | FT-0628687 | AMY17985 | SCHEMBL26285 | 6-bromo-2-methyl-hexanoate;Methyl 6-Bromohexanoate | 6-Bromo-henxanoic acid methyl ester | SY018348 | AS-17534 | MFCD00187528 | Methyl 6-bromohexanoate | methyl 6-bromo-hexanoate | A807958 | METHYL-6-BROMO

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

Sorrisi canonici

COC(=O)CCCCCBr

IUPAC Name

methyl 6-bromohexanoate

InChIKey

KYLVAMSNNZMHSX-UHFFFAOYSA-N

INCHI

1S/C7H13BrO2/c1-10-7(9)5-3-2-4-6-8/h2-6H2,1H3

Isomeri SMILES

COC(=O)CCCCCBr

Peso molecolare

209.08

Reaxy-Rn

1752062

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752062&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 methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl 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
• Descrizione: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

• Solubilità: Soluble in chloroform.
• Peso molecolare: 209.080 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 208.01 Da
• Monoisotopic Mass: 208.01 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.600
• 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

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 room temperature.

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 14273-90-6, the molecular formula is C7H13BrO2, and the molecular weight is 209.08 g/mol. InChIKey KYLVAMSNNZMHSX-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.