3-(2-Bromophenyl)propionic acid - ≥97% , CAS No.15115-58-9

CAS: 15115-58-9 Cat. No.: B123075 Fórmula: C₉H₉BrO₂ Peso molecular: 229.07 Número CE: 629-087-9

GRADE & PURITY ≥97%

Synonyms

FT-0602031 | 3-(2-Bromophenyl)propionic acid, 97% | BCP22392 | NSC-243189 | (alphaR)-6-Amino-alpha-methyl-9H-purine-9-ethanol | 3-(2-bromophenyl)propanoic acid | J-510487 | SCHEMBL7573 | AB3202 | BENZENEPROPANOIC ACID, 2-BROMO- | Plivit A | 3-(bromophenyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0602031 | 3-(2-Bromophenyl)propionic acid, 97% | BCP22392 | NSC-243189 | (alphaR)-6-Amino-alpha-methyl-9H-purine-9-ethanol | 3-(2-bromophenyl)propanoic acid | J-510487 | SCHEMBL7573 | AB3202 | BENZENEPROPANOIC ACID, 2-BROMO- | Plivit A | 3-(bromophenyl

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488189458
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189458
• Sorrisos canónicos: C1=CC=C(C(=C1)CCC(=O)O)Br
• IUPAC Name: 3-(2-bromophenyl)propanoic acid
• InChIKey: AOACQJFIGWNQBC-UHFFFAOYSA-N
• INCHI: 1S/C9H9BrO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)
• SMILES isoméricas: C1=CC=C(C(=C1)CCC(=O)O)Br
• WGK Alemanha: 2
• Peso molecular: 229.07
• Reaxy-Rn: 2045860
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045860&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Bromobenzenes Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Ponto de ebulição (°C): 186 °C/15 mmHg
• Ponto de fusão (°C): 93-95°C
• Peso molecular: 229.070 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 227.979 Da
• Monoisotopic Mass: 227.979 Da
• Topological Polar Surface Area: 37.300 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

Perguntas frequentes

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.

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 15115-58-9, the molecular formula is C9H9BrO2, and the molecular weight is 229.07 g/mol. InChIKey AOACQJFIGWNQBC-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.