5-(2-Bromoacetyl)-2-hydroxybenzaldehyde - ≥96% , CAS No.115787-50-3

CAS: 115787-50-3 Cat. No.: B189833 Summenformel: C₉H₇BrO₃ Molekulargewicht: 243.05 EG-Nummer: 884-414-4

GRADE & PURITY ≥96%

Synonyms

LPSGRBXPXIPMPF-UHFFFAOYSA-N | MFCD09833486 | AMY7399 | 5-(Bromoacetyl)salicylaldehyde | DTXSID80449317 | 5-(2-Bromoacetyl)-2-hydroxybenzaldehyde;5-(2-bromoacetyl)-2-hydroxybenzaldehyde | Bromoacetyl)-2-hydroxybenzaldehyde | 5-(2-Bromoacetyl)-2-hydroxybenz

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

LPSGRBXPXIPMPF-UHFFFAOYSA-N | MFCD09833486 | AMY7399 | 5-(Bromoacetyl)salicylaldehyde | DTXSID80449317 | 5-(2-Bromoacetyl)-2-hydroxybenzaldehyde;5-(2-bromoacetyl)-2-hydroxybenzaldehyde | Bromoacetyl)-2-hydroxybenzaldehyde | 5-(2-Bromoacetyl)-2-hydroxybenz

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 504765771
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765771
• Kanonisches Lächeln: C1=CC(=C(C=C1C(=O)CBr)C=O)O
• IUPAC Name: 5-(2-bromoacetyl)-2-hydroxybenzaldehyde
• InChIKey: LPSGRBXPXIPMPF-UHFFFAOYSA-N
• INCHI: 1S/C9H7BrO3/c10-4-9(13)6-1-2-8(12)7(3-6)5-11/h1-3,5,12H,4H2
• Isomere SMILES: C1=CC(=C(C=C1C(=O)CBr)C=O)O
• Molekulargewicht: 243.05
• Reaxy-Rn: 4992391
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4992391&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Hydroxybenzaldehydes Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Hydroxybenzaldehyde - Benzaldehyde - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Vinylogous acid - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxide - Aldehyde - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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: 243.050 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.958 Da
• Monoisotopic Mass: 241.958 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• 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

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 115787-50-3, the molecular formula is C9H7BrO3, and the molecular weight is 243.05 g/mol. InChIKey LPSGRBXPXIPMPF-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.