Methylnaphthalene - ≥80% , CAS No.1321-94-4

CAS: 1321-94-4 Cat. No.: M190561 Summenformel: C₁₁H₁₀ Molekulargewicht: 142.2 EG-Nummer: 215-329-7

GRADE & PURITY ≥80%

Synonyms

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-Methylna

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

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-Methylna

Spezifikationen & Reinheit

≥80%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥80%

Namen und Kennungen

• Pubchem Sid: 504751221
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751221
• Kanonisches Lächeln: 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
• Isomere SMILES: CC1=CC=CC2=CC=CC=C12
• UN-Nummer: 3082
• Verpackungsgruppe: III
• Molekulargewicht: 142.2
• 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
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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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)

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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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°C): 82.2ºC
• Siedepunkt (°C): 242.8ºC at 760 mmHg
• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥80% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1321-94-4, the molecular formula is C11H10, and the molecular weight is 142.2 g/mol. InChIKey QPUYECUOLPXSFR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.