1-metilnaftalenos - ≥98% , CAS No.90-12-0

CAS: 90-12-0 Cat. No.: M104858 Fórmula: C₁₁H₁₀ Peso molecular: 142.2 Beilstein Registry Number: 506793 Número EC: 201-966-8

GRADE & PURITY ≥98%

Synonyms

1-MN | 1-metilnaftaleno | AMY38999 | CAS-90-12-0 | DTXSID9020877 | NCGC00091700-02 | NCGC00259317-01 | WLN: L66J B1 | 1-metilnaftaleno | M0371 | MFCD00004034 | Q161656 | SMR001216533 | Naftaleno, 1-metil | Naftaleno, 1-metil- | STL283953 | 1-M

Storage

Argon charged,Room temperature

Shipped In

FedEx DG Service

Descripción general

aplicación：

el 1-metilnaftaleno se utiliza como intermediario importante en la síntesis orgánica. Se utiliza como material de partida de tensioactivos, reductores de agua, dispersantes y fármacos. Además, se emplea en la preparación de 1-metilnaftaleno-d10 utilizando óxido de deuterio, deuteróxido de sodio.

Specifications

Sinónimos

1-MN | 1-metilnaftaleno | AMY38999 | CAS-90-12-0 | DTXSID9020877 | NCGC00091700-02 | NCGC00259317-01 | WLN: L66J B1 | 1-metilnaftaleno | M0371 | MFCD00004034 | Q161656 | SMR001216533 | Naftaleno, 1-metil | Naftaleno, 1-metil- | STL283953 | 1-M

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

FedEx DG Service

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 508807416
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508807416
• Sonrisas canónicas: CC1=CC=CC2=CC=CC=C12
• IUPAC Name: 1-methylnaphthalene
• InChIKey: QPUYECUOLPXSFR-UHFFFAOYSA-N
• INCHI: 1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3
• Isómeros SMILES: CC1=CC=CC2=CC=CC=C12
• WGK Alemania: 1
• Peso molecular: 142.2
• Beilstein: 506793
• Reaxy-Rn: 506793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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: methylnaphthalene

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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with water, alcohol, ethanol, ether and benzene.
• Sensibilidad: Moisture sensitive.
• Índice de refracción: 1.617
• Punto de inflamación (°F): 172.4℉
• Punto de inflamación (°C): 78℃
• Punto de ebullición (°C): 244.64°C
• Punto de fusión (°C): -22°C
• Peso molecular: 142.200 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 142.078 Da
• Monoisotopic Mass: 142.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 128.000
• 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