Ethyl 4-bromo-2-methylbenzoate - ≥95% , CAS No.220389-34-4

CAS: 220389-34-4 Cat. No.: E730817 Summenformel: C₁₀H₁₁O₂Br Molekulargewicht: 243.09 PubChem CID: 22616358

GRADE & PURITY ≥95%

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CCOC(=O)C1=C(C=C(C=C1)Br)C
• IUPAC Name: ethyl 4-bromo-2-methylbenzoate
• InChIKey: UWDMTHJPTMJZNG-UHFFFAOYSA-N
• INCHI: 1S/C10H11BrO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3
• Isomere SMILES: CCOC(=O)C1=C(C=C(C=C1)Br)C
• PubChem CID: 22616358
• Molekulargewicht: 243.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: 4-halobenzoic acids and derivatives Benzoyl derivatives Toluenes Bromobenzenes Aryl bromides Carboxylic acid esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Toluene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 243.100 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 241.994 Da
• Monoisotopic Mass: 241.994 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 182.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 220389-34-4, the molecular formula is C10H11O2Br, and the molecular weight is 243.09 g/mol. InChIKey UWDMTHJPTMJZNG-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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.