Cloruro de cinamilo - ≥95%, contiene carbonato de sodio como estabilizador , CAS No.2687-12-9

CAS: 2687-12-9 Cat. No.: C102165 Peso molecular: 152.62 Beilstein Registry Number: 5(2)372 Número 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

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

El cloruro de cinamilo reacciona regioselectivamente con fosfanos de arilo y alquenilgold(I) en presencia de catalizador de paladio en THF para obtener el producto de α-sustitución?
Suele utilizarse en la síntesis total enantioselectiva de helioporinas C y E, diterpenos marinos bioactivos.

Specifications

Sinónimos

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 |

Especificaciones y pureza

≥95%, contiene carbonato de sodio como estabilizador

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: 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+
• Isómeros SMILES: C1=CC=C(C=C1)/C=C/CCl
• WGK Alemania: 3
• RTECS: CZ0919905
• CAS alternativo: 21087-29-6
• Número ONU: 1760
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water (0.2 g/L at 20°C).
• Sensibilidad: Moisture sensitive.
• Punto de congelación (°C): 8 °C
• Índice de refracción: 1.584
• Punto de inflamación (°F): 174.2 °F
• Punto de inflamación (°C): 79°C
• Punto de ebullición (°C): 136 °C
• Punto de fusión (°C): -19°C
• Peso molecular: 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

Referencias

1. Shengcong Wu, Qiu Xiong, Abd. Rashid bin Mohd Yusoff, Peng Gao.  (2025)  Reactive Anti-Solvent Engineering via Kornblum Reaction for Controlled Crystallization in (FA0.83MA0.17Cs0.05)Pb(I0.85Br0.15)3 Perovskite Solar Cells.  Inorganics,  13  (9): (295).  [PMID:] [10.3390/inorganics13090295]

2. Haimen Lin, Yiheng Li, Rubin He, Wenzhen Zheng, Yipeng Lai, Yiting Xu, Birong Zeng, Conghui Yuan, Lizong Dai.  (2025)  Fabrication of Large-Area, Ultra-Strong, and Anti-Swelling Hydrogel Thin Films for Underwater Invisible Electronic Skin.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202507606]