2,7-Dimethylnaphthalene - ≥98%(GC) , CAS No.582-16-1

CAS: 582-16-1 Cat. No.: D155001 Fórmula: C₁₂H₁₂ Peso molecular: 156.23 Beilstein Registry Number: 1852740 Número EC: 209-477-1

GRADE & PURITY ≥98%(GC)

Synonyms

SY049119 | 2,7-Dimethylnaphthalene, 99% | CHEBI:48632 | MFCD00004121 | DS-11890 | ON63XH5BQ4 | EINECS 209-477-1 | 2,7-DIMETHYLNAPHTHALENE | 2,7-dimethyl-naphthalene | NSC36851 | NSC-36851 | NSC 36851 | AKOS006221862 | BDBM50159240 | A831788 | SB37788 | D0

Storage

Room temperature

Shipped In

Normal

Descripción general

Product Description：

The atmospheric oxidation mechanism of 2,7-dimethylnaphthalene initiated by OH radical was investigated. Adsorption of 2,7-dimethylnaphthalene isomers dissolved in supercritical carbon dioxide on NaY-type zeolite was also studied.

Product Application：
2,7-Dimethylnaphthalene was used in the preparation of 2,7-bisbromomethylnapthalene via bromination with N-bromosuccinimide.

Specifications

Sinónimos

SY049119 | 2,7-Dimethylnaphthalene, 99% | CHEBI:48632 | MFCD00004121 | DS-11890 | ON63XH5BQ4 | EINECS 209-477-1 | 2,7-DIMETHYLNAPHTHALENE | 2,7-dimethyl-naphthalene | NSC36851 | NSC-36851 | NSC 36851 | AKOS006221862 | BDBM50159240 | A831788 | SB37788 | D0

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488181328

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181328

Sonrisas canónicas

CC1=CC2=C(C=C1)C=CC(=C2)C

IUPAC Name

2,7-dimethylnaphthalene

InChIKey

LRQYSMQNJLZKPS-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

CC1=CC2=C(C=C1)C=CC(=C2)C

WGK Alemania

3

Peso molecular

156.23

Beilstein

1852740

Reaxy-Rn

1852737

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 263 °C
• Punto de fusión (°C): 97 °C
• Peso molecular: 156.220 g/mol
• XLogP3: 4.300
• 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: 134.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 582-16-1, the molecular formula is C12H12, and the molecular weight is 156.23 g/mol. InChIKey LRQYSMQNJLZKPS-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.