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

CAS: 90734-97-7 Cat. No.: M355243 Fórmula: C₁₀H₉NO₂ Peso molecular: 175.18 Número 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

Visão geral

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

Specifications

Sinónimos

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 |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488188201

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

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

Peso molecular

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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de ebulição (°C): ~375.24° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 104.83° C (Predicted)
• Peso molecular: 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