Naphthalene - Standard for GC, ≥99.5%(GC) , CAS No.91-20-3

CAS: 91-20-3 Cat. No.: N110801 Fórmula: C₁₀H₈ Peso molecular: 128.17 Beilstein Registry Number: 1421310 Número CE: 202-049-5

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

Mighty RD1 | MLS001055498 | NSC37565 | NSC-37565 | UN2304 | Mighty 150 | naftaleno | Tox21_202004 | WLN: L66J | Moth balls | NAPHTHALENE [IARC] | naphtalene | NAPHTHALINUM [HPUS] | NCGC00090793-02 | NCGC00090793-05 | DTXSID8020913 | N0004 | Naphthalene 10

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

Mighty RD1 | MLS001055498 | NSC37565 | NSC-37565 | UN2304 | Mighty 150 | naftaleno | Tox21_202004 | WLN: L66J | Moth balls | NAPHTHALENE [IARC] | naphtalene | NAPHTHALINUM [HPUS] | NCGC00090793-02 | NCGC00090793-05 | DTXSID8020913 | N0004 | Naphthalene 10

Especificações e pureza

Standard for GC, ≥99.5%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Standard for GC

Pureza

≥99.5%(GC)

Nomes e identificadores

Pubchem Sid

508816501

Sorrisos canónicos

C1=CC=C2C=CC=CC2=C1

IUPAC Name

naphthalene

InChIKey

UFWIBTONFRDIAS-UHFFFAOYSA-N

INCHI

1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H

SMILES isoméricas

C1=CC=C2C=CC=CC2=C1

WGK Alemanha

3

RTECS

QJ0525000

Número UN

1334,2304(molten)

Grupo de embalagem

III

Peso molecular

128.17

Beilstein

1421310

Reaxy-Rn

1421310

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1421310&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: an aromatic compound

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

Alvos associados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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CASP3 Tchem Caspase-3 (3632 Activities)

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ALB Tchem Serum albumin (2651 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

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GMNN Tbio Geminin (128009 Activities)

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Alvos associados (não humanos)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

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Nannizzia gypsea (2039 Activities)

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Microsporum canis (872 Activities)

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Aspergillus flavus (8875 Activities)

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Aspergillus niger (16508 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Aspergillus fumigatus (16427 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Trichophyton rubrum (3646 Activities)

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Caenorhabditis elegans (1055 Activities)

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Epidermophyton floccosum (561 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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ced-3 Cell death protein 3 (4 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Eysarcoris (24 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.5898
• Ponto de inflamação (°F): 173.3 °F - closed cup
• Ponto de inflamação (°C): 78.5 °C - closed cup
• Ponto de ebulição (°C): 218°C
• Ponto de fusão (°C): 80.29°C
• Peso molecular: 128.169 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 128.063 Da
• Monoisotopic Mass: 128.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 80.600
• 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