Methyl 2-(3-bromophenyl)propanoate - ≥95% , CAS No.80622-53-3

CAS: 80622-53-3 Cat. No.: M590225 Summenformel: C₁₀H₁₁BrO₂ Molekulargewicht: 243.10 EG-Nummer: 837-552-4

GRADE & PURITY ≥95%

Synonyms

methyl2-(3-bromophenyl)propanoate | A927948 | AKOS025396341 | SY249962 | SCHEMBL1133808 | EN300-188439 | methyl 2-(3-bromophenyl)propanoate | I11128 | MFCD18908974 | Z1269138350

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

methyl2-(3-bromophenyl)propanoate | A927948 | AKOS025396341 | SY249962 | SCHEMBL1133808 | EN300-188439 | methyl 2-(3-bromophenyl)propanoate | I11128 | MFCD18908974 | Z1269138350

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CC(C1=CC(=CC=C1)Br)C(=O)OC

IUPAC Name

methyl 2-(3-bromophenyl)propanoate

InChIKey

IQJQUAGEAURVAU-UHFFFAOYSA-N

INCHI

1S/C10H11BrO2/c1-7(10(12)13-2)8-4-3-5-9(11)6-8/h3-7H,1-2H3

Isomere SMILES

CC(C1=CC(=CC=C1)Br)C(=O)OC

Molekulargewicht

243.10

Reaxy-Rn

5513027

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5513027&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 243.100 g/mol
• XLogP3: 3.000
• 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: 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 80622-53-3, the molecular formula is C10H11BrO2, and the molecular weight is 243.10 g/mol. InChIKey IQJQUAGEAURVAU-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.