4-Methoxyindol-3-carboxaldehyd - ≥97% , CAS No.90734-97-7

CAS: 90734-97-7 Cat. No.: M355243 Summenformel: C₁₀H₉NO₂ Molekulargewicht: 175.18 EG-Nummer: 108-428-0

GRADE & PURITY ≥97%

Synonyms

CL3466 | FT-0651349 | 4-Methoxyindole-3-carboxaldehyde | SCHEMBL1337138 | DTXSID50238250 | 3-Formyl-4-methoxy-1H-indole | AS-45961 | GDVCEQRAPMIJBG-UHFFFAOYSA-N | 4-Methoxyindole-3-aldehyde | CHEBI:181462 | STK360767 | 4-methoxy-1H-indole-3-carbaldehyde |

Storage

Lagerung bei -20°C, Argon geladen

Shipped In

Eistruhe + Eispads

Übersicht

4-Methoxyindol-3-carboxaldehyd ist ein Zwischenprodukt in organischen Synthesen.

Specifications

Synonyme

CL3466 | FT-0651349 | 4-Methoxyindole-3-carboxaldehyde | SCHEMBL1337138 | DTXSID50238250 | 3-Formyl-4-methoxy-1H-indole | AS-45961 | GDVCEQRAPMIJBG-UHFFFAOYSA-N | 4-Methoxyindole-3-aldehyde | CHEBI:181462 | STK360767 | 4-methoxy-1H-indole-3-carbaldehyde |

Spezifikationen & Reinheit

≥97%

Storage

Lagerung bei -20°C, Argon geladen

Verschickt in

Eistruhe + Eispads

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488188201
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188201
• Kanonisches Lächeln: COC1=CC=CC2=C1C(=CN2)C=O
• IUPAC Name: 4-methoxy-1H-indole-3-carbaldehyde
• InChIKey: GDVCEQRAPMIJBG-UHFFFAOYSA-N
• INCHI: 1S/C10H9NO2/c1-13-9-4-2-3-8-10(9)7(6-12)5-11-8/h2-6,11H,1H3
• Isomere SMILES: COC1=CC=CC2=C1C(=CN2)C=O
• Molekulargewicht: 175.18
• Reaxy-Rn: 3542369
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3542369&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Anisoles Aryl-aldehydes Alkyl aryl ethers Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Anisole - Alkyl aryl ether - Aryl-aldehyde - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Azacycle - Ether - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): ~375.24° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 104.83° C (Predicted)
• Molekulargewicht: 175.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 175.063 Da
• Monoisotopic Mass: 175.063 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 195.000
• 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