α-Bromo-γ-butyrolactone - ≥97% , CAS No.5061-21-2

CAS: 5061-21-2 Cat. No.: B107924 Summenformel: C₄H₅BrO₂ Molekulargewicht: 164.99 Beilstein Registry Number: 107800 EG-Nummer: 225-764-4

GRADE & PURITY ≥97%

Synonyms

3-bromo-dihydro-furan-2-one | 3-bromo-dihydrofuran-2-one | 3-bromodihydrofuran-2-one | 3-bromotetrahydrofuran-2-one | AKOS000119556 | MFCD00005387 | EINECS 225-764-4 | F0001-1320 | bromobutyrolactone | AKOS040764361 | alpha-Bromobutyrolactone | 3-bromooxo

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

3-bromo-dihydro-furan-2-one | 3-bromo-dihydrofuran-2-one | 3-bromodihydrofuran-2-one | 3-bromotetrahydrofuran-2-one | AKOS000119556 | MFCD00005387 | EINECS 225-764-4 | F0001-1320 | bromobutyrolactone | AKOS040764361 | alpha-Bromobutyrolactone | 3-bromooxo

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504756270
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756270
• Kanonisches Lächeln: C1COC(=O)C1Br
• IUPAC Name: 3-bromooxolan-2-one
• InChIKey: LFJJGHGXHXXDFT-UHFFFAOYSA-N
• INCHI: 1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2
• Isomere SMILES: C1COC(=O)C1Br
• WGK Deutschland: 3
• Molekulargewicht: 164.99
• Beilstein: 107800
• Reaxy-Rn: 107800
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107800&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Organobromide - Organohalogen compound - Alkyl bromide - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light &Moisture sensitive.
• Brechungsindex: 1.5
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 140°C/20mmHg
• Molekulargewicht: 164.990 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.947 Da
• Monoisotopic Mass: 163.947 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 91.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

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 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 5061-21-2, the molecular formula is C4H5BrO2, and the molecular weight is 164.99 g/mol. InChIKey LFJJGHGXHXXDFT-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.