2-Naphthylacetonitrile - ≥98%(GC) , CAS No.7498-57-9

CAS: 7498-57-9 Cat. No.: N134014 Summenformel: C₁₂H₉N Molekulargewicht: 167.21 Beilstein Registry Number: 9(3)3212 EG-Nummer: 231-352-5

QUALITÄT & REINHEIT ≥98%(GC)

Synonyms

2-Naphthylmethylcyanide | 2-(Naphthalen-2-yl)acetonitrile | AKOS009156882 | FK3B32KF2J | 2-Naphthaleneacetonitrile | NSC 407556 | (R)-(-)-Glycidyl benzyl ether | (2R,3R,4S,5R)-2-{7-amino-3H-imidazo[4,5-b]pyridin-3-yl}-5-(hydroxymethyl)oxolane-3,4-diol | 2

Storage

Room temperature

Shipped In

Normal

Übersicht

2-Naphthylacetonitrile undergoes three-component coupling with benzyne and DMF to yield coumarins.

Spezifikationen

Synonyme

2-Naphthylmethylcyanide | 2-(Naphthalen-2-yl)acetonitrile | AKOS009156882 | FK3B32KF2J | 2-Naphthaleneacetonitrile | NSC 407556 | (R)-(-)-Glycidyl benzyl ether | (2R,3R,4S,5R)-2-{7-amino-3H-imidazo[4,5-b]pyridin-3-yl}-5-(hydroxymethyl)oxolane-3,4-diol | 2

Spezifikationen & Reinheit

≥98%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488186029

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186029

Kanonisches Lächeln

C1=CC=C2C=C(C=CC2=C1)CC#N

IUPAC Name

2-naphthalen-2-ylacetonitrile

InChIKey

LPCWDVLDJVZIHA-UHFFFAOYSA-N

INCHI

1S/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2

Isomere SMILES

C1=CC=C2C=C(C=CC2=C1)CC#N

WGK Deutschland

3

Molekulargewicht

167.21

Beilstein

9(3)3212

Reaxy-Rn

1862879

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862879&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: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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: Not available

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water
• Siedepunkt (°C): 303 °C
• Schmelzpunkt (°C): 82-84°C
• Molekulargewicht: 167.210 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 167.073 Da
• Monoisotopic Mass: 167.073 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 212.000
• 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

Häufig gestellte Fragen

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 7498-57-9, the molecular formula is C12H9N, and the molecular weight is 167.21 g/mol. InChIKey LPCWDVLDJVZIHA-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.