7-Hydroxy-2-naphthonitrile - ≥98% , CAS No.130200-58-7

CAS: 130200-58-7 Cat. No.: H190492 Summenformel: C₁₁H₇NO Molekulargewicht: 169.18

GRADE & PURITY ≥98%

Synonyms

MB06812 | 7-HYDROXY-2-NAPHTHONITRILE | 2-CYANO-7-NAPHTHOL | MFCD09030752 | AC-18645 | EN300-6503745 | 7-HYDROXY-2-NAPHTHALENECARBONITRILE | DS-15453 | AKOS006288130 | 7-Hydroxy-naphthalene-2-carbonitrile | 7-Hydroxynaphthalene-2-carbonitrile | SCHEMBL1143

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

MB06812 | 7-HYDROXY-2-NAPHTHONITRILE | 2-CYANO-7-NAPHTHOL | MFCD09030752 | AC-18645 | EN300-6503745 | 7-HYDROXY-2-NAPHTHALENECARBONITRILE | DS-15453 | AKOS006288130 | 7-Hydroxy-naphthalene-2-carbonitrile | 7-Hydroxynaphthalene-2-carbonitrile | SCHEMBL1143

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC(=CC2=C1C=CC(=C2)O)C#N
• IUPAC Name: 7-hydroxynaphthalene-2-carbonitrile
• InChIKey: NFBPHZSDBOVNAL-UHFFFAOYSA-N
• INCHI: 1S/C11H7NO/c12-7-8-1-2-9-3-4-11(13)6-10(9)5-8/h1-6,13H
• Isomere SMILES: C1=CC(=CC2=C1C=CC(=C2)O)C#N
• Molekulargewicht: 169.18
• Reaxy-Rn: 3244429
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3244429&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Nitriles Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 169.180 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 169.053 Da
• Monoisotopic Mass: 169.053 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 229.000
• 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