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

CAS: 90734-97-7 Cat. No.: M355243 Formule: C₁₀H₉NO₂ Poids moléculaire: 175.18 Numéro CE: 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

Vue d’ensemble

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

Specifications

Synonymes

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 |

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488188201

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188201

Sourires canoniques

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

Isomères SMILES

COC1=CC=CC2=C1C(=CN2)C=O

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Point d'ébullition (°C): ~375.24° C at 760 mmHg (Predicted)
• Point de fusion (°C): 104.83° C (Predicted)
• Poids moléculaire: 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