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

CAS: 130200-58-7 Cat. No.: H190492 분자식: C₁₁H₇NO 분자량: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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순수함

≥98%

이름과 식별자

정식 스마일

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

이성체 SMILES

C1=CC(=CC2=C1C=CC(=C2)O)C#N

분자량

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
    • 분류 Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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