6-Bromo-2-hydroxy-3-methoxybenzaldehyde - 10mM in DMSO , CAS No.20035-41-0

CAS: 20035-41-0 Cat. No.: B422438 Summenformel: C₈H₇BrO₃ Molekulargewicht: 231.05 EG-Nummer: 627-492-5

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528762397

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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ERN1 Tchem Serine/threonine-protein kinase/endoribonuclease IRE1 (1682 Activities)

Discover Target: ERN1

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rep Replicase polyprotein 1ab (378 Activities)

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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