2-Bromo-5-hydroxy-4-methoxybenzaldehyde - ≥90% , CAS No.2973-59-3

CAS: 2973-59-3 Cat. No.: B123039 Peso molecular: 231.04 Beilstein Registry Number: 1942858 Número EC: 426-540-0

GRADE & PURITY ≥90%

Synonyms

2-Bromo-5-hydroxy-4-methoxybenzaldehyde | 2-bromo-5-hydroxy-4-methoxy-benzaldehyde | 5-Bromoisovanillin | SR-01000041090-1 | 2-Bromo-5-hydroxy-4-methoxybenzaldehyde # | 6-BROMOISOVANILLIN | 2-bromo-5-hydroxy-4-methoxy benzaldehyde | EN300-17222 | SR-01000

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Bromo-5-hydroxy-4-methoxybenzaldehyde | 2-bromo-5-hydroxy-4-methoxy-benzaldehyde | 5-Bromoisovanillin | SR-01000041090-1 | 2-Bromo-5-hydroxy-4-methoxybenzaldehyde # | 6-BROMOISOVANILLIN | 2-bromo-5-hydroxy-4-methoxy benzaldehyde | EN300-17222 | SR-01000

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Pubchem Sid: 488190757
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190757
• Sonrisas canónicas: COC1=C(C=C(C(=C1)Br)C=O)O
• IUPAC Name: 2-bromo-5-hydroxy-4-methoxybenzaldehyde
• InChIKey: AHYSXUDLJOFNAB-UHFFFAOYSA-N
• INCHI: 1S/C8H7BrO3/c1-12-8-3-6(9)5(4-10)2-7(8)11/h2-4,11H,1H3
• Isómeros SMILES: COC1=C(C=C(C(=C1)Br)C=O)O
• WGK Alemania: 3
• Peso molecular: 231.04
• Beilstein: 1942858
• Reaxy-Rn: 1942858
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1942858&ln=

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 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Benzoyl - Phenol ether - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Ether - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organobromide - Organohalogen compound - 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Air Sensitive
• Punto de ebullición (°C): 280 °C
• Punto de fusión (°C): ≥95°C
• Peso molecular: 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