4-Methoxyindole-3-carboxaldehyde - ≥97% , CAS No.90734-97-7

CAS: 90734-97-7 Cat. No.: M355243 Formula: C₁₀H₉NO₂ Peso molecolare: 175.18 Numero EC: 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

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

4-Methoxyindole-3-carboxaldehyde is an intermediate in organic syntheses.

Specifications

Sinonimi

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 |

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

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Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488188201
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188201
• Sorrisi canonici: 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
• Isomeri SMILES: COC1=CC=CC2=C1C(=CN2)C=O
• Peso molecolare: 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
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): ~375.24° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 104.83° C (Predicted)
• Peso molecolare: 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