2-Ethylbenzonitrile - ≥98% , CAS No.34136-59-9

CAS: 34136-59-9 Cat. No.: E472414 Fórmula: C₉H₉N Peso molecular: 131.18 Número CE: 800-813-8

GRADE & PURITY ≥98%

Synonyms

SY185053 | Z979777106 | 2-Ethylbenzonitrile # | J-019462 | 2-Ethylbenzonitrile | DTXSID20955669 | Benzonitrile, 2-ethyl- | BS-22901 | SCHEMBL106062 | A822091 | MFCD00045597 | ethylcyanobenzene | AKOS009156939 | o-Ethylbenzonitrile | 2-Ethylbenzonitrile, 9

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Description

2-Ethylbenzonitrile is present as one of the constituents in the bioactive neutral sub-fraction of cigarette smoke condensate. It can be obtained from 2-ethylaniline, via Sandmeyer reaction. Density and the refractive index of 2-ethylbenzonitrile at 25°C are 0.9560g/cm3and 1.5270, respectively.2-Ethylbenzonitrile may be used to synthesize 2-ethylhexahydrobenzylamine and 2-ethylstyrene.

Specifications

Sinónimos

SY185053 | Z979777106 | 2-Ethylbenzonitrile # | J-019462 | 2-Ethylbenzonitrile | DTXSID20955669 | Benzonitrile, 2-ethyl- | BS-22901 | SCHEMBL106062 | A822091 | MFCD00045597 | ethylcyanobenzene | AKOS009156939 | o-Ethylbenzonitrile | 2-Ethylbenzonitrile, 9

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488187738
• Sorrisos canónicos: CCC1=CC=CC=C1C#N
• IUPAC Name: 2-ethylbenzonitrile
• InChIKey: UZDXATQPJOOHQJ-UHFFFAOYSA-N
• INCHI: 1S/C9H9N/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2H2,1H3
• SMILES isoméricas: CCC1=CC=CC=C1C#N
• Peso molecular: 131.18
• Reaxy-Rn: 1237716
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237716&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.523 (lit.)
• Ponto de ebulição (°C): 94-95/12mm
• Peso molecular: 131.170 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 131.073 Da
• Monoisotopic Mass: 131.073 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 142.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 34136-59-9, the molecular formula is C9H9N, and the molecular weight is 131.18 g/mol. InChIKey UZDXATQPJOOHQJ-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.