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

CAS: 2687-12-9 Cat. No.: C102165 Summenformel: C₆H₅CH=CHCH₂Cl Molekulargewicht: 152.62 Beilstein Registry Number: 5(2)372 EG-Nummer: 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

Übersicht

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

Synonyme

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 |

Spezifikationen & Reinheit

≥95%, contains sodium carbonate as stabilizer

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

508816245

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816245

Kanonisches Lächeln

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+

Isomere SMILES

C1=CC=C(C=C1)/C=C/CCl

WGK Deutschland

3

RTECS

CZ0919905

Alternative CAS-Nummer

21087-29-6

UN-Nummer

1760

Molekulargewicht

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
    • 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: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water (0.2 g/L at 20°C).
• Empfindlichkeit: Moisture sensitive.
• Gefrierpunkt (°C): 8 °C
• Brechungsindex: 1.584
• Flammpunkt (°F): 174.2 °F
• Flammpunkt (°C): 79°C
• Siedepunkt (°C): 136 °C
• Schmelzpunkt (°C): -19°C
• Molekulargewicht: 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