2-Methylnaphthalene - analytical standard, for environmental analysis , CAS No.91-57-6

CAS: 91-57-6 Cat. No.: M119488 分子式: C₁₁H₁₀ 分子量: 142.2 Beilstein Registry Number: 906859 EC番号: 202-078-3

グレード＆純度 Analytical standard, for Environmental analysis

Synonyms

InChI=1/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H | CAS-91-57-6 | NCGC00258393-01 | 2-Methylnaphthalene 10 microg/mL in Cyclohexane | 2-methyl naphthalene | AC-615 | Z104476894 | DTXCID60878 | NCGC00091415-01 | EC 202-078-3 | CHEBI:50720 | S8MCX3C16H

Storage

Room temperature

Shipped In

FedEx DG Service

仕様

同義語

InChI=1/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H | CAS-91-57-6 | NCGC00258393-01 | 2-Methylnaphthalene 10 microg/mL in Cyclohexane | 2-methyl naphthalene | AC-615 | Z104476894 | DTXCID60878 | NCGC00091415-01 | EC 202-078-3 | CHEBI:50720 | S8MCX3C16H

仕様と純度

analytical standard, for environmental analysis

保管条件

Room temperature

入荷

FedEx DG Service

等級

分析用標準物質, 環境分析用

名前と識別子

パブケム・シド

528757388

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528757388

カノニカル・スマイル

CC1=CC2=CC=CC=C2C=C1

IUPAC Name

2-methylnaphthalene

InChIKey

QIMMUPPBPVKWKM-UHFFFAOYSA-N

INCHI

1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3

異性体SMILES

CC1=CC2=CC=CC=C2C=C1

WGKドイツ

2

RTECS

QJ9635000

UN番号

3082

包装グループ

III

分子量

142.2

Beilstein

906859

Reaxy-Rn

906859

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906859&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.6019
• 引火点（°F）: 208.4 °F
• 引火点（°C）: 98℃
• 沸点（°C）: 241-242°C
• 融点（°C）: 34.58°C
• 分子量: 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