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

CAS: 91-57-6 Cat. No.: M119488 Formule: C₁₁H₁₀ Poids moléculaire: 142.2 Beilstein Registry Number: 906859 Numéro CE: 202-078-3

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

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

Spécifications et pureté

analytical standard, for environmental analysis

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Grade

Étalon d'analyse, pour l'analyse environnementale

Noms et identifiants

Pubchem Sid

528757388

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CC1=CC2=CC=CC=C2C=C1

WGK Allemagne

2

RTECS

QJ9635000

Numéro ONU

3082

Groupe d'emballage

III

Poids moléculaire

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
    • 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
• Description: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.6019
• Point d'éclair (°F): 208.4 °F
• Point d'éclair (°C): 98℃
• Point d'ébullition (°C): 241-242°C
• Point de fusion (°C): 34.58°C
• Poids moléculaire: 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