Methyl 2-(2-bromophenyl)-2-oxoacetate - ≥97% , CAS No.122394-38-1

CAS: 122394-38-1 Cat. No.: M190185 Formula: C₉H₇BrO₃ Peso molecolare: 243.05

GRADE & PURITY ≥97%

Synonyms

DS-7712 | 2-Bromo-oxo-benzeneacetic acid methyl ester | Benzeneacetic acid, 2-bromo-alpha-oxo-, methyl ester | AB11679 | Methyl2-(2-bromophenyl)-2-oxoacetate | SCPBADGYTPFIQF-UHFFFAOYSA-N | DTXSID50447325 | XEA39438 | (2-Bromophenyl)-oxoacetic acid methyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DS-7712 | 2-Bromo-oxo-benzeneacetic acid methyl ester | Benzeneacetic acid, 2-bromo-alpha-oxo-, methyl ester | AB11679 | Methyl2-(2-bromophenyl)-2-oxoacetate | SCPBADGYTPFIQF-UHFFFAOYSA-N | DTXSID50447325 | XEA39438 | (2-Bromophenyl)-oxoacetic acid methyl

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

COC(=O)C(=O)C1=CC=CC=C1Br

IUPAC Name

methyl 2-(2-bromophenyl)-2-oxoacetate

InChIKey

SCPBADGYTPFIQF-UHFFFAOYSA-N

INCHI

1S/C9H7BrO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5H,1H3

Isomeri SMILES

COC(=O)C(=O)C1=CC=CC=C1Br

Peso molecolare

243.05

Reaxy-Rn

7635398

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7635398&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Bromobenzenes Aryl bromides Alpha-keto acids and derivatives Vinylogous halides Methyl esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Alpha-keto acid - Aryl bromide - Aryl halide - Keto acid - Vinylogous halide - Methyl ester - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Peso molecolare: 243.050 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.958 Da
• Monoisotopic Mass: 241.958 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 215.000
• 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

Domande frequenti

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 122394-38-1, the molecular formula is C9H7BrO3, and the molecular weight is 243.05 g/mol. InChIKey SCPBADGYTPFIQF-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.