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

CAS: 90-12-0 Cat. No.: M104858 Formula: C₁₁H₁₀ Peso molecolare: 142.2 Beilstein Registry Number: 506793 Numero EC: 201-966-8

GRADE & PURITY ≥98%

Synonyms

1-MN | 1-methylnaphtalene | AMY38999 | CAS-90-12-0 | DTXSID9020877 | NCGC00091700-02 | NCGC00259317-01 | WLN: L66J B1 | 1-Methylnapththalene | M0371 | MFCD00004034 | Q161656 | SMR001216533 | naphthalene, 1-methyl | Naphthalene, 1-methyl- | STL283953 | 1-M

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Panoramica

application：

1-Methylnaphthalene is used as an important intermediate in organic synthesis. It is used as a starting material of surfactant, water reducer, dispersant and drugs. Further, it is employed in the preparation of 1-methylnaphthalene-d10 using deuterium oxide, sodium deuteroxide.

Specifications

Sinonimi

1-MN | 1-methylnaphtalene | AMY38999 | CAS-90-12-0 | DTXSID9020877 | NCGC00091700-02 | NCGC00259317-01 | WLN: L66J B1 | 1-Methylnapththalene | M0371 | MFCD00004034 | Q161656 | SMR001216533 | naphthalene, 1-methyl | Naphthalene, 1-methyl- | STL283953 | 1-M

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

FedEx DG Service

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 508807416
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508807416
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=CC=CC2=CC=CC=C12
• WGK Germania: 1
• Peso molecolare: 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
    • 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
• Descrizione: 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

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

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Lymphoblastoid cell (5959 Activities)

Explore this target

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Obiettivi associati (non umani)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Miscible with water, alcohol, ethanol, ether and benzene.
• Sensibilità: Moisture sensitive.
• Indice di rifrazione: 1.617
• Punto di infiammabilità (°F): 172.4℉
• Punto di infiammabilità (°C): 78℃
• Punto di ebollizione (°C): 244.64°C
• Punto di fusione (°C): -22°C
• Peso molecolare: 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