1-Phenyloxindole - ≥98% , CAS No.3335-98-6

CAS: 3335-98-6 Cat. No.: P160231 Formula: C₁₄H₁₁NO Peso molecolare: 209.25 Beilstein Registry Number: 21(5)8,9 Numero EC: 608-864-6 PubChem CID: 314787

GRADE & PURITY ≥98%

Synonyms

D07863 | AC-13444 | Oxindole, 1-phenyl- | Phenylindolinon | Bionet2_001595 | HMS1368K03 | SDCCGMLS-0035066.P002 | 1-phenyl-2,3-dihydro-1H-indol-2-one | 1-Phenyl-2-indolinone | DTXSID50310944 | SR-01000195504 | HMS2375J20 | 1-Phenyloxindole | 2FQG528CES |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

D07863 | AC-13444 | Oxindole, 1-phenyl- | Phenylindolinon | Bionet2_001595 | HMS1368K03 | SDCCGMLS-0035066.P002 | 1-phenyl-2,3-dihydro-1H-indol-2-one | 1-Phenyl-2-indolinone | DTXSID50310944 | SR-01000195504 | HMS2375J20 | 1-Phenyloxindole | 2FQG528CES |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504758441
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758441
• Sorrisi canonici: C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3
• IUPAC Name: 1-phenyl-3H-indol-2-one
• InChIKey: OWPNVXATCSXTBK-UHFFFAOYSA-N
• INCHI: 1S/C14H11NO/c16-14-10-11-6-4-5-9-13(11)15(14)12-7-2-1-3-8-12/h1-9H,10H2
• Isomeri SMILES: C1C2=CC=CC=C2N(C1=O)C3=CC=CC=C3
• PubChem CID: 314787
• Peso molecolare: 209.25
• Beilstein: 21(5)8,9
• Reaxy-Rn: 151492

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Benzene and substituted derivatives Tertiary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: (Soluble) ethanol, toluene, ether; insoluble in water
• Punto di fusione (°C): 122 °C
• Peso molecolare: 209.240 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.084 Da
• Monoisotopic Mass: 209.084 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 270.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 3335-98-6, the molecular formula is C14H11NO, and the molecular weight is 209.25 g/mol. InChIKey OWPNVXATCSXTBK-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.