2,3-Dimethylnaphthalene - ≥97%(GC) , CAS No.581-40-8

CAS: 581-40-8 Cat. No.: D154999 Formula: C₁₂H₁₂ Peso molecolare: 156.23 Beilstein Registry Number: 1852620 Numero EC: 209-463-5

GRADE & PURITY ≥97%(GC)

Synonyms

EINECS 209-463-5 | 2,3-Dimethyl naphthalene | UNII-35DJ6SE17O | 35DJ6SE17O | FT-0609717 | AS-57934 | STL280251 | AI3-17609 | DTXSID2060383 | AKOS005208607 | EN300-98060 | NSC36850 | NSC-36850 | W-203183 | Guajen | MFCD00004119 | InChI=1/C12H12/c1-9-7-11-5

Storage

Room temperature

Shipped In

Normal

Panoramica

application：

It is used in the identification of individual aromatic hydrocarbons in kerosene fraction

Specifications

Sinonimi

EINECS 209-463-5 | 2,3-Dimethyl naphthalene | UNII-35DJ6SE17O | 35DJ6SE17O | FT-0609717 | AS-57934 | STL280251 | AI3-17609 | DTXSID2060383 | AKOS005208607 | EN300-98060 | NSC36850 | NSC-36850 | W-203183 | Guajen | MFCD00004119 | InChI=1/C12H12/c1-9-7-11-5

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

504752115

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752115

Sorrisi canonici

CC1=CC2=CC=CC=C2C=C1C

IUPAC Name

2,3-dimethylnaphthalene

InChIKey

WWGUMAYGTYQSGA-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

CC1=CC2=CC=CC=C2C=C1C

WGK Germania

3

Peso molecolare

156.23

Beilstein

1852620

Reaxy-Rn

1852621

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852621&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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Benzene soluble
• Punto di ebollizione (°C): 268 °C
• Punto di fusione (°C): 106 °C
• Peso molecolare: 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

Domande frequenti

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 ≥97% 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 581-40-8, the molecular formula is C12H12, and the molecular weight is 156.23 g/mol. InChIKey WWGUMAYGTYQSGA-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.