1,4-Dimethylnaphthalene - ≥96%(GC) , CAS No.571-58-4

CAS: 571-58-4 Cat. No.: D155046 Summenformel: C₁₂H₁₂ Molekulargewicht: 156.23 Beilstein Registry Number: 2039840 EG-Nummer: 209-335-9

GRADE & PURITY ≥96%(GC)

Synonyms

CHEBI:48609 | 1,4-DMN | AKOS015842553 | DTXSID8035423 | Tox21_300881 | STL453638 | D89759 | MFCD00004037 | DIMETHYLNAPHTHALENE, 1,4- | NCGC00254785-01 | AS-57958 | Naphthalene, 1,4-dimethyl- | NSC61779 | NSC-61779 | Q27121287 | EINECS 209-335-9 | 1,4-DIME

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

CHEBI:48609 | 1,4-DMN | AKOS015842553 | DTXSID8035423 | Tox21_300881 | STL453638 | D89759 | MFCD00004037 | DIMETHYLNAPHTHALENE, 1,4- | NCGC00254785-01 | AS-57958 | Naphthalene, 1,4-dimethyl- | NSC61779 | NSC-61779 | Q27121287 | EINECS 209-335-9 | 1,4-DIME

Spezifikationen & Reinheit

≥96%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%(GC)

Namen und Kennungen

Pubchem Sid

488181302

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181302

Kanonisches Lächeln

CC1=CC=C(C2=CC=CC=C12)C

IUPAC Name

1,4-dimethylnaphthalene

InChIKey

APQSQLNWAIULLK-UHFFFAOYSA-N

INCHI

1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3

Isomere SMILES

CC1=CC=C(C2=CC=CC=C12)C

WGK Deutschland

3

RTECS

QJ4440000

Molekulargewicht

156.23

Beilstein

2039840

Reaxy-Rn

2039842

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039842&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: dimethylnaphthalene

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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.61
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 128°C(lit.)
• Siedepunkt (°C): 268°C(lit.)
• Molekulargewicht: 156.220 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.094 Da
• Monoisotopic Mass: 156.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 132.000
• 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