1-Naphthonitrile - ≥95% , CAS No.86-53-3

CAS: 86-53-3 Cat. No.: N104556 Formule: C₁₁H₇N Poids moléculaire: 153.18 Beilstein Registry Number: 9649 Numéro CE: 201-679-8

GRADE & PURITY ≥95%

Synonyms

1-Naphthylnitrile | alpha-Cyanonaphthalene | UNII-2AS1LZ61HD | EINECS 201-679-8 | 1-NAPHTHALENECARBONITRILE | 1-naphthonitrile pound 2-Naphthonitrile pound(c) | alpha-Naphthylnitrile | Naphthalene-1-carbonitrile | 2AS1LZ61HD | .alpha.-Cyanonaphthalene |

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonymes

1-Naphthylnitrile | alpha-Cyanonaphthalene | UNII-2AS1LZ61HD | EINECS 201-679-8 | 1-NAPHTHALENECARBONITRILE | 1-naphthonitrile pound 2-Naphthonitrile pound(c) | alpha-Naphthylnitrile | Naphthalene-1-carbonitrile | 2AS1LZ61HD | .alpha.-Cyanonaphthalene |

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

FedEx DG Service

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488180174

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180174

Sourires canoniques

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

IUPAC Name

naphthalene-1-carbonitrile

InChIKey

YJMNOKOLADGBKA-UHFFFAOYSA-N

INCHI

1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H

Isomères SMILES

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

WGK Allemagne

3

RTECS

QL5976300

Numéro ONU

3439

Poids moléculaire

153.18

Beilstein

9649

Reaxy-Rn

971255

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971255&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: 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
• 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de congélation (°C): 35 °C
• Indice de réfraction: 1.6298
• Point d'ébullition (°C): 296.5°C
• Point de fusion (°C): 35°C
• Poids moléculaire: 153.180 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 153.058 Da
• Monoisotopic Mass: 153.058 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 200.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86-53-3, the molecular formula is C11H7N, and the molecular weight is 153.18 g/mol. InChIKey YJMNOKOLADGBKA-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.