6-Bromo-2-hydroxy-3-methoxybenzaldehyde - ≥98%(GC) , CAS No.20035-41-0

CAS: 20035-41-0 Cat. No.: B153189 Formule: C₈H₇BrO₃ Poids moléculaire: 231.05 Numéro CE: 627-492-5

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-6498200 | J-012961 | SCHEMBL424251 | 6-Bromo-2-hydroxy-3-methoxybenzaldehyde, 98% | FT-0637938 | J-510172 | DS-5266 | B1487 | InChI=1/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3 | HMS3749C11 | AC-9213 | BDBM110974 | 3-methoxy-6-bromosalicyla

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

6-Bromo-2-hydroxy-3-methoxybenzaldehyde is a bromobenzaldehyde derivative.It participates in the synthesis of (±)-norannuradhapurine. Its crystals exhibit monoclinic crystal system and space group P21/n.

Specifications

Synonymes

EN300-6498200 | J-012961 | SCHEMBL424251 | 6-Bromo-2-hydroxy-3-methoxybenzaldehyde, 98% | FT-0637938 | J-510172 | DS-5266 | B1487 | InChI=1/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3 | HMS3749C11 | AC-9213 | BDBM110974 | 3-methoxy-6-bromosalicyla

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504758201

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758201

Sourires canoniques

COC1=C(C(=C(C=C1)Br)C=O)O

IUPAC Name

6-bromo-2-hydroxy-3-methoxybenzaldehyde

InChIKey

JUPJZUTYDWXZAQ-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

COC1=C(C(=C(C=C1)Br)C=O)O

WGK Allemagne

3

Poids moléculaire

231.05

Reaxy-Rn

2047320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047320&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds Methoxybenzenes M-bromophenols Benzoyl derivatives Anisoles Bromobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Aryl bromides Vinylogous halides Vinylogous acids Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Phenoxy compound - Anisole - Benzaldehyde - Methoxybenzene - Benzoyl - Phenol ether - 3-halophenol - 3-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Bromobenzene - Aryl-aldehyde - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Vinylogous acid - Ether - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Point de fusion (°C): 103 °C
• Poids moléculaire: 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