7-hydroxyindole - ≥98% , CAS No.2380-84-9

CAS: 2380-84-9 Cat. No.: H478864 Summenformel: C₈H₇NO Molekulargewicht: 133.15 EG-Nummer: 691-806-7

GRADE & PURITY ≥98%

Synonyms

ORVPXPKEZLTMNW-UHFFFAOYSA-N | SCHEMBL109665 | J467.723D | 1H-indol-7-ol | 7-HYDROXY-1H-INDOLE | 7-hydroxyindole | 7-hydroxy-indole | INDOL-7-OL | OR3V96LY5G | DTXSID5042669 | AMY18001 | MFCD00152102 | 7-hydroxyindole, AldrichCPR | UNII-OR3V96LY5G | 7-hydr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

ORVPXPKEZLTMNW-UHFFFAOYSA-N | SCHEMBL109665 | J467.723D | 1H-indol-7-ol | 7-HYDROXY-1H-INDOLE | 7-hydroxyindole | 7-hydroxy-indole | INDOL-7-OL | OR3V96LY5G | DTXSID5042669 | AMY18001 | MFCD00152102 | 7-hydroxyindole, AldrichCPR | UNII-OR3V96LY5G | 7-hydr

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528762813
• Kanonisches Lächeln: C1=CC2=C(C(=C1)O)NC=C2
• IUPAC Name: 1H-indol-7-ol
• InChIKey: ORVPXPKEZLTMNW-UHFFFAOYSA-N
• INCHI: 1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H
• Isomere SMILES: C1=CC2=C(C(=C1)O)NC=C2
• Molekulargewicht: 133.15
• Reaxy-Rn: 114777
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114777&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Indoles 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.74 (Predicted)
• Siedepunkt (°C): ~343.2° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 85-88° C
• Molekulargewicht: 133.150 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.053 Da
• Monoisotopic Mass: 133.053 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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