Indole-3-carboxaldehyde - ≥97% , CAS No.487-89-8

CAS: 487-89-8 Cat. No.: I106884 Summenformel: C₉H₇NO Molekulargewicht: 145.16 Beilstein Registry Number: 21313 EG-Nummer: 207-665-8

QUALITÄT & REINHEIT ≥97%

Synonyms

indole 3-carboxaldehyde | 1H-indole-3-aldehyde | CU-00000000108-1 | I0027 | AB00443651-03 | A-Indolylaldehyde | Q27103575 | .beta.-Indolylaldehyde | AM1029 | C08493 | CHEBI:28238 | Indol-3-carbaldehyd | AC-23425 | AG-205/01412034 | 3-Formylindol | A7354 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Spezifikationen

Synonyme

indole 3-carboxaldehyde | 1H-indole-3-aldehyde | CU-00000000108-1 | I0027 | AB00443651-03 | A-Indolylaldehyde | Q27103575 | .beta.-Indolylaldehyde | AM1029 | C08493 | CHEBI:28238 | Indol-3-carbaldehyd | AC-23425 | AG-205/01412034 | 3-Formylindol | A7354 |

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488181098

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181098

Kanonisches Lächeln

C1=CC=C2C(=C1)C(=CN2)C=O

IUPAC Name

1H-indole-3-carbaldehyde

InChIKey

OLNJUISKUQQNIM-UHFFFAOYSA-N

INCHI

1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H

Isomere SMILES

C1=CC=C2C(=C1)C(=CN2)C=O

WGK Deutschland

3

RTECS

NL5993600

Molekulargewicht

145.16

Beilstein

21313

Reaxy-Rn

114117

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114117&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: Aryl-aldehydes Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl-aldehyde - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Vinylogous amide - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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: an indole-phytolexin

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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: Air sensitive
• Flammpunkt (°C): 240℃
• Schmelzpunkt (°C): 193-198°C
• Molekulargewicht: 145.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 145.053 Da
• Monoisotopic Mass: 145.053 Da
• Topological Polar Surface Area: 32.900 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 487-89-8, the molecular formula is C9H7NO, and the molecular weight is 145.16 g/mol. InChIKey OLNJUISKUQQNIM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.