5-Bromo-2-hydroxy-3-methoxybenzaldehyde - ≥98% , CAS No.5034-74-2

CAS: 5034-74-2 Cat. No.: W134667 Summenformel: BrC₆H₂(OH)(OCH₃)CHO Molekulargewicht: 231.04 EG-Nummer: 628-660-0 PubChem CID: 262238

GRADE & PURITY ≥98%

Synonyms

Benzaldehyde, 5-bromo-2-hydroxy-3-methoxy- | 5-bromo-2-hydroxy-3-methoxybenzenecarbaldehyde | 5-Bromo-2-hydroxy-3-methoxybenzaldehyde, 97% | MFCD00016593 | A828081 | 5-Bromo-3-methoxysalicylaldehyde | AE-848/30539041 | J-516939 | BBL023438 | 5-Bromo-2-hyd

Storage

Room temperature

Shipped In

Normal

Übersicht

Usually used in the syntheses of ailanthoidol, via Stille coupling,6-bromo-8-methoxy-3-(methoxycarbonyl)-2H-chromen-2-one,benzimidazole-based ligand, 2-(1H-benzoimidazol-2-yl)-4-bromo-6-methoxy-phenol (HL),chromogenic reagent, 5-bromo-2-hydroxy-3-methoxybenzaldehyde-p-hydroxy benzoic hydrazone,(E)-N′-(5-bromo-2-hydroxy-3-methoxybenzylidene)-2-hydroxybenzohydrazide monohydrate.

Specifications

Synonyme

Benzaldehyde, 5-bromo-2-hydroxy-3-methoxy- | 5-bromo-2-hydroxy-3-methoxybenzenecarbaldehyde | 5-Bromo-2-hydroxy-3-methoxybenzaldehyde, 97% | MFCD00016593 | A828081 | 5-Bromo-3-methoxysalicylaldehyde | AE-848/30539041 | J-516939 | BBL023438 | 5-Bromo-2-hyd

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488189131

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189131

Kanonisches Lächeln

COC1=CC(=CC(=C1O)C=O)Br

IUPAC Name

5-bromo-2-hydroxy-3-methoxybenzaldehyde

InChIKey

MMFKBTPDEVLIOR-UHFFFAOYSA-N

INCHI

1S/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3

Isomere SMILES

COC1=CC(=CC(=C1O)C=O)Br

WGK Deutschland

3

PubChem CID

262238

Molekulargewicht

231.04

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 P-bromophenols Methoxybenzenes Benzoyl derivatives Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Vinylogous acids Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - 4-halophenol - Phenoxy compound - 4-bromophenol - Phenol ether - Methoxybenzene - Aryl-aldehyde - Alkyl aryl ether - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Vinylogous acid - Ether - Organic oxide - Aldehyde - Organohalogen compound - Organobromide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 231.040 g/mol
• XLogP3: 2.100
• 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

What is the purity of this product?

This product is supplied at ≥98% 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 5034-74-2, the molecular formula is C8H7BrO3, and the molecular weight is 231.04 g/mol. InChIKey MMFKBTPDEVLIOR-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.