Cinnamonitrile - ≥97% , CAS No.1885-38-7

CAS: 1885-38-7 Cat. No.: C107581 Fórmula: C₉H₇N Peso molecular: 129.16 Beilstein Registry Number: 1209546 Número CE: 217-552-5

GRADE & PURITY ≥97%

Synonyms

Cinnamonitrile pred. trans | AI3-28397 | CINNAMONITRILE, CIS + TRANS | Cinnamonitrile, 97% | DS-10164 | J-012148 | J-520051 | UNII-H475UV3WWH | 2-Propenenitrile, 3-phenyl-, (2E)- | Q27279623 | (E)-3-phenyl-2-propenenitrile | (E)-Cinnamonitrile | 3-Phenyla

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Visão geral

Application

Cinnamonitrile is a parent compound whose derivatives can be applied as corrosion inhibitors for API J55 steel.

Specifications

Sinónimos

Cinnamonitrile pred. trans | AI3-28397 | CINNAMONITRILE, CIS + TRANS | Cinnamonitrile, 97% | DS-10164 | J-012148 | J-520051 | UNII-H475UV3WWH | 2-Propenenitrile, 3-phenyl-, (2E)- | Q27279623 | (E)-3-phenyl-2-propenenitrile | (E)-Cinnamonitrile | 3-Phenyla

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 528774914
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528774914
• Sorrisos canónicos: C1=CC=C(C=C1)C=CC#N
• IUPAC Name: (E)-3-phenylprop-2-enenitrile
• InChIKey: ZWKNLRXFUTWSOY-QPJJXVBHSA-N
• INCHI: 1S/C9H7N/c10-8-4-7-9-5-2-1-3-6-9/h1-7H/b7-4+
• SMILES isoméricas: C1=CC=C(C=C1)/C=C/C#N
• WGK Alemanha: 3
• Peso molecular: 129.16
• Beilstein: 1209546
• Reaxy-Rn: 1209545
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209545&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - 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 styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in alcohol. Insoluble in water.
• Sensibilidade: light sensitive，air sensitive
• Ponto de congelamento (°C): 19 °C
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 253-255℃
• Ponto de fusão (°C): 18-20℃
• Peso molecular: 129.160 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 129.058 Da
• Monoisotopic Mass: 129.058 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1