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

CAS: 1885-38-7 Cat. No.: C107581 Summenformel: C₉H₇N Molekulargewicht: 129.16 Beilstein Registry Number: 1209546 EG-Nummer: 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

Übersicht

Application

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 528774914
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528774914
• Kanonisches Lächeln: 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+
• Isomere SMILES: C1=CC=C(C=C1)/C=C/C#N
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in alcohol. Insoluble in water.
• Empfindlichkeit: light sensitive，air sensitive
• Gefrierpunkt (°C): 19 °C
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 253-255℃
• Schmelzpunkt (°C): 18-20℃
• Molekulargewicht: 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