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

CAS: 20035-41-0 Cat. No.: B153189 Summenformel: C₈H₇BrO₃ Molekulargewicht: 231.05 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 504758201
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758201
• Kanonisches Lächeln: 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
• Isomere SMILES: COC1=C(C(=C(C=C1)Br)C=O)O
• WGK Deutschland: 3
• Molekulargewicht: 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
    • 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 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
• 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 sensitive
• Schmelzpunkt (°C): 103 °C
• 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