Methyl 3-Bromophenylacetate - ≥98%(GC) , CAS No.150529-73-0

CAS: 150529-73-0 Cat. No.: M158157 Fórmula: C₉H₉BrO₂ Peso molecular: 229.07 Número EC: 604-742-1

GRADE & PURITY ≥98%(GC)

Synonyms

BBL102372 | Methyl 2-(3-bromophenyl)acetate | SCHEMBL136054 | PS-4897 | FT-0649917 | 3-bromophenyl acetic acid methyl ester | NSC757850 | STL556173 | Z905185712 | Methyl m-bromophenylacetate | SY004524 | EN300-130965 | A3312 | J-501190 | AM803251 | methyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BBL102372 | Methyl 2-(3-bromophenyl)acetate | SCHEMBL136054 | PS-4897 | FT-0649917 | 3-bromophenyl acetic acid methyl ester | NSC757850 | STL556173 | Z905185712 | Methyl m-bromophenylacetate | SY004524 | EN300-130965 | A3312 | J-501190 | AM803251 | methyl

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488197701
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197701
• Sonrisas canónicas: COC(=O)CC1=CC(=CC=C1)Br
• IUPAC Name: methyl 2-(3-bromophenyl)acetate
• InChIKey: ULSSGHADTSRELG-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
• Isómeros SMILES: COC(=O)CC1=CC(=CC=C1)Br
• Peso molecular: 229.07
• Reaxy-Rn: 6323479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6323479&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromobenzene - Aryl halide - Aryl bromide - 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 - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.55
• Punto de inflamación (°C): 150 °C
• Punto de ebullición (°C): 268 °C
• Peso molecular: 229.070 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.979 Da
• Monoisotopic Mass: 227.979 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 150529-73-0, the molecular formula is C9H9BrO2, and the molecular weight is 229.07 g/mol. InChIKey ULSSGHADTSRELG-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.