5-Bromovanillin - ≥95% , CAS No.2973-76-4

CAS: 2973-76-4 Cat. No.: B299031 Summenformel: C₈H₇BrO₃ Molekulargewicht: 231.04 EG-Nummer: 221-016-6

GRADE & PURITY ≥95%

Synonyms

6-BROMO-4-FORMYL-2-METHOXYPHENOL | NSC10073 | NSC-10073 | SCHEMBL565133 | Benzaldehyde, 3-bromo-4-hydroxy-5-methoxy- | MFCD00006940 | AKOS000119561 | Z57313888 | Q21045306 | 5-BROMOVANILLIN | 5-BROMO-3-METHOXY-4-HYDROXYBENZALDEHYDE | InChI=1/C8H7BrO3/c1-1

Storage

Room temperature

Shipped In

Normal

Übersicht

5-Bromovanillin was used to enrich the metabolically stable anaerobic cultures to study dechlorination of chlorocatechols. It was also used to prepare 2, 5-dihydroxy-4-methoxy-6-bromobenzaldehyde and 5-bromovanillate.

Specifications

Synonyme

6-BROMO-4-FORMYL-2-METHOXYPHENOL | NSC10073 | NSC-10073 | SCHEMBL565133 | Benzaldehyde, 3-bromo-4-hydroxy-5-methoxy- | MFCD00006940 | AKOS000119561 | Z57313888 | Q21045306 | 5-BROMOVANILLIN | 5-BROMO-3-METHOXY-4-HYDROXYBENZALDEHYDE | InChI=1/C8H7BrO3/c1-1

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504752866
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752866
• Kanonisches Lächeln: COC1=C(C(=CC(=C1)C=O)Br)O
• IUPAC Name: 3-bromo-4-hydroxy-5-methoxybenzaldehyde
• InChIKey: KLSHZDPXXKAHIJ-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3
• Isomere SMILES: COC1=C(C(=CC(=C1)C=O)Br)O
• Molekulargewicht: 231.04
• Reaxy-Rn: 2049761
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2049761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds O-bromophenols Methoxybenzenes Benzoyl derivatives Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - 2-halophenol - Phenoxy compound - 2-bromophenol - Phenol ether - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl-aldehyde - Aryl halide - Aryl bromide - Monocyclic benzene moiety - Ether - Organohalogen compound - Aldehyde - Organobromide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air and Light Sensitive
• Schmelzpunkt (°C): 161°C
• Molekulargewicht: 231.040 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.958 Da
• Monoisotopic Mass: 229.958 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 162.000
• 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

How should this product be stored?

Store at room temperature.

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 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 2973-76-4, the molecular formula is C8H7BrO3, and the molecular weight is 231.04 g/mol. InChIKey KLSHZDPXXKAHIJ-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.