1-Naphthol - analytical standard , CAS No.90-15-3

CAS: 90-15-3 Cat. No.: N103798 Summenformel: C₁₀H₈O Molekulargewicht: 144.17 Beilstein Registry Number: 1817321 EG-Nummer: 201-969-4

GRADE & PURITY Analytical standard

Synonyms

alpha-Naphthyl alcohol | 1-Naphthol; 1-Naphthalenol; 1-Hydroxynaphthalene; 1-Naphthyl Alcohol; Hydroxynaphthalene | GS-6917 | C.I. Oxidation Base 33 | CI Oxidation Base 33 | N2780_SIAL | Naphthalenol | Z104474036 | 1-Hydroxynaphthalene | 1-Naphthol, Purif

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyme

alpha-Naphthyl alcohol | 1-Naphthol; 1-Naphthalenol; 1-Hydroxynaphthalene; 1-Naphthyl Alcohol; Hydroxynaphthalene | GS-6917 | C.I. Oxidation Base 33 | CI Oxidation Base 33 | N2780_SIAL | Naphthalenol | Z104474036 | 1-Hydroxynaphthalene | 1-Naphthol, Purif

Spezifikationen & Reinheit

analytical standard

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

508807463

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807463

Kanonisches Lächeln

C1=CC=C2C(=C1)C=CC=C2O

IUPAC Name

naphthalen-1-ol

InChIKey

KJCVRFUGPWSIIH-UHFFFAOYSA-N

INCHI

1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H

Isomere SMILES

C1=CC=C2C(=C1)C=CC=C2O

WGK Deutschland

1

RTECS

QL2800000

UN-Nummer

2811

Verpackungsgruppe

III

Molekulargewicht

144.17

Beilstein

1817321

Reaxy-Rn

1817321

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1817321&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-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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: a small molecule

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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K562 (73714 Activities)

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MOLT-4 (49676 Activities)

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UGT2B7 Tchem UDP-glucuronosyltransferase 2B7 (787 Activities)

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UGT2B17 Tbio UDP-glucuronosyltransferase 2B17 (197 Activities)

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UGT2B4 Tbio UDP-glucuronosyltransferase 2B4 (139 Activities)

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UGT2B10 Tbio UDP-glucuronosyltransferase 2B10 (42 Activities)

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UGT2B15 Tbio UDP-glucuronosyltransferase 2B15 (172 Activities)

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UGT2B28 Tbio UDP-glucuronosyltransferase 2B28 (9 Activities)

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UGT1A7 Tbio UDP-glucuronosyltransferase 1-7 (106 Activities)

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UGT1A8 Tbio UDP-glucuronosyltransferase 1-8 (233 Activities)

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UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

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UGT1A10 Tbio UDP-glucuronosyltransferase 1-10 (257 Activities)

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UGT2A1 UDP-glucuronosyltransferase 2A1 (59 Activities)

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PTGS2 Tclin Cyclooxygenase (1258 Activities)

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ced-3 Cell death protein 3 (4 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive；Air sensitive
• Brechungsindex: 1.6206
• Flammpunkt (°F): 125℃
• Flammpunkt (°C): 125℃
• Siedepunkt (°C): 147°C/15mmHg
• Schmelzpunkt (°C): 96°C
• Molekulargewicht: 144.170 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.058 Da
• Monoisotopic Mass: 144.058 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• 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