4-Butylbenzonitrile - ≥98% , CAS No.20651-73-4

CAS: 20651-73-4 Cat. No.: B168447 Formula: C₁₁H₁₃N Peso molecolare: 159.23 Numero EC: 623-190-2

GRADE & PURITY ≥98%

Synonyms

SCHEMBL3753968 | 1-Butyl-4-cyanobenzene | AKOS015839523 | D97359 | Benzonitrile, 4-butyl- | Benzonitrile,4-butyl- | J-013490 | 4-butylbenzenecarbonitrile | 4-Butylbenzonitrile | 4-butyl-benzonitrile | 4-Butylbenzonitrile, 98% | AS-57716 | FT-0617945 | 4-(

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL3753968 | 1-Butyl-4-cyanobenzene | AKOS015839523 | D97359 | Benzonitrile, 4-butyl- | Benzonitrile,4-butyl- | J-013490 | 4-butylbenzenecarbonitrile | 4-Butylbenzonitrile | 4-butyl-benzonitrile | 4-Butylbenzonitrile, 98% | AS-57716 | FT-0617945 | 4-(

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488188090

Sorrisi canonici

CCCCC1=CC=C(C=C1)C#N

IUPAC Name

4-butylbenzonitrile

InChIKey

KGZNJCXNPLUEQS-UHFFFAOYSA-N

INCHI

1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3

Isomeri SMILES

CCCCC1=CC=C(C=C1)C#N

WGK Germania

3

Peso molecolare

159.23

Reaxy-Rn

2327442

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2327442&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): 143.6 °F
• Punto di infiammabilità (°C): 62 °C
• Peso molecolare: 159.230 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 159.105 Da
• Monoisotopic Mass: 159.105 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 157.000
• 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

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 room temperature.

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 20651-73-4, the molecular formula is C11H13N, and the molecular weight is 159.23 g/mol. InChIKey KGZNJCXNPLUEQS-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.