1-Phenylcyclobutanecarbonitrile - ≥95% , CAS No.14377-68-5

CAS: 14377-68-5 Cat. No.: P160087 Summenformel: C₁₁H₁₁N Molekulargewicht: 157.22 EG-Nummer: 238-351-9 PubChem CID: 84400

GRADE & PURITY ≥95%

Synonyms

Z361882924 | 1-phenyl-1-cyclobutanecarbonitrile | J-505085 | 1-phenylcyclobutane-1-carbonitrile | Cyclobutanecarbonitrile, 1-phenyl- | EINECS 238-351-9 | DS-1580 | DTXSID90162540 | NSC 125697 | AKOS005257769 | FS-2610 | FT-0608219 | 1-Phenylcyclobutanecar

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

Z361882924 | 1-phenyl-1-cyclobutanecarbonitrile | J-505085 | 1-phenylcyclobutane-1-carbonitrile | Cyclobutanecarbonitrile, 1-phenyl- | EINECS 238-351-9 | DS-1580 | DTXSID90162540 | NSC 125697 | AKOS005257769 | FS-2610 | FT-0608219 | 1-Phenylcyclobutanecar

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1CC(C1)(C#N)C2=CC=CC=C2

IUPAC Name

1-phenylcyclobutane-1-carbonitrile

InChIKey

DHIDUDPFTZJPCQ-UHFFFAOYSA-N

INCHI

1S/C11H11N/c12-9-11(7-4-8-11)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2

Isomere SMILES

C1CC(C1)(C#N)C2=CC=CC=C2

PubChem CID

84400

Molekulargewicht

157.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Brechungsindex: 1.53
• Flammpunkt (°C): 106 °C
• Siedepunkt (°C): 85 °C/0.3 mmHg
• Molekulargewicht: 157.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 157.089 Da
• Monoisotopic Mass: 157.089 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

Häufig gestellte Fragen

How should this product be stored?

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

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 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 14377-68-5, the molecular formula is C11H11N, and the molecular weight is 157.22 g/mol. InChIKey DHIDUDPFTZJPCQ-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.