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

CAS: 5034-74-2 Cat. No.: W134667 Peso molecular: 231.04 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488189131
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189131
• Sonrisas canónicas: 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
• Isómeros SMILES: COC1=CC(=CC(=C1O)C=O)Br
• WGK Alemania: 3
• PubChem CID: 262238
• Peso molecular: 231.04

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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