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

CAS: 1885-38-7 Cat. No.: C107581 Formula: C₉H₇N Peso molecolare: 129.16 Beilstein Registry Number: 1209546 Numero EC: 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

Panoramica

Application

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

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 528774914
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528774914
• Sorrisi canonici: 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+
• Isomeri SMILES: C1=CC=C(C=C1)/C=C/C#N
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in alcohol. Insoluble in water.
• Sensibilità: light sensitive，air sensitive
• Punto di congelamento (°C): 19 °C
• Punto di infiammabilità (°F): 235.4 °F
• Punto di infiammabilità (°C): 113 °C
• Punto di ebollizione (°C): 253-255℃
• Punto di fusione (°C): 18-20℃
• Peso molecolare: 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