Cinnamyl chloride - ≥95%, contains sodium carbonate as stabilizer , CAS No.2687-12-9

CAS: 2687-12-9 Cat. No.: C102165 Formula: C₆H₅CH=CHCH₂Cl Peso molecolare: 152.62 Beilstein Registry Number: 5(2)372 Numero EC: 220-246-4

GRADE & PURITY ≥95%, contains sodium carbonate as stabilizer

Synonyms

3-Chloro-1-phenylpropene | AKOS000121473 | Cinnamyl chloride, stab. with sodium carbonate | Propene, 3-chloro-1-phenyl- | 1-Phenyl-3-chloro-1-propene | NSC5599 | NSC-5599 | Benzene, (3-chloropropenyl)- | Cinnamyl chloride | 3-Phenyl-2-propenyl chloride |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Cinnamyl chloride reacts regioselectively with aryl and alkenylgold(I) phosphanes in the presence of palladium catalyst in THF to afford the α-substitution product?.
Usually used in the enantioselective total synthesis of helioporins C and E, bioactive marine diterpenes.

Specifications

Sinonimi

3-Chloro-1-phenylpropene | AKOS000121473 | Cinnamyl chloride, stab. with sodium carbonate | Propene, 3-chloro-1-phenyl- | 1-Phenyl-3-chloro-1-propene | NSC5599 | NSC-5599 | Benzene, (3-chloropropenyl)- | Cinnamyl chloride | 3-Phenyl-2-propenyl chloride |

Specifiche e purezza

≥95%, contains sodium carbonate as stabilizer

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 508816245
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508816245
• Sorrisi canonici: C1=CC=C(C=C1)C=CCCl
• IUPAC Name: [(E)-3-chloroprop-1-enyl]benzene
• InChIKey: IWTYTFSSTWXZFU-QPJJXVBHSA-N
• INCHI: 1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
• Isomeri SMILES: C1=CC=C(C=C1)/C=C/CCl
• WGK Germania: 3
• RTECS: CZ0919905
• CAS alternativo: 21087-29-6
• Numero UN: 1760
• Peso molecolare: 152.62
• Beilstein: 5(2)372
• Reaxy-Rn: 741974
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741974&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: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water (0.2 g/L at 20°C).
• Sensibilità: Moisture sensitive.
• Punto di congelamento (°C): 8 °C
• Indice di rifrazione: 1.584
• Punto di infiammabilità (°F): 174.2 °F
• Punto di infiammabilità (°C): 79°C
• Punto di ebollizione (°C): 136 °C
• Punto di fusione (°C): -19°C
• Peso molecolare: 152.620 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 152.039 Da
• Monoisotopic Mass: 152.039 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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