Propionyl chloride - ≥98% , CAS No.79-03-8

CAS: 79-03-8 Cat. No.: P108665 Peso molecular: 92.52 Beilstein Registry Number: 385632 Número EC: 201-170-0

GRADE & PURITY ≥98%

Synonyms

Propionic acid chloride | Propanoyl Chloride | Propanoic Acid Chloride

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

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Descripción general

It has a pungent odor. It is soluble in ether, chloroform, glacial vinegar, acids, benzene, and gasoline. It decomposes violently in water or ethanol into propionic acid, ethyl propionate, and hydrogen chloride. In organic synthesis, it is used as a propionylating agent and as an intermediate in the preparation of various propionic acid derivatives, such as phenylacetone; it is used in the production of the pesticide propargyl; in the pharmaceutical industry, it is used to produce the antiepileptic drug methoxyamine hydrochloride; choleretic alcohol; and the antiadrenergic drug methoxyamine hydrochloride, etc.

Specifications

Sinónimos

Propionic acid chloride | Propanoyl Chloride | Propanoic Acid Chloride

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753829
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753829
• Sonrisas canónicas: CCC(=O)Cl
• IUPAC Name: propanoyl chloride
• InChIKey: RZWZRACFZGVKFM-UHFFFAOYSA-N
• INCHI: 1S/C3H5ClO/c1-2-3(4)5/h2H2,1H3
• Isómeros SMILES: CCC(=O)Cl
• WGK Alemania: 1
• Número ONU: 1815
• Grupo de embalaje: II
• Peso molecular: 92.52
• Beilstein: 385632
• Reaxy-Rn: 385632
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385632&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.4051
• Punto de inflamación (°F): 42.8 °F
• Punto de inflamación (°C): 12℃
• Punto de ebullición (°C): 80℃
• Punto de fusión (°C): -94℃
• Peso molecular: 92.520 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 92.0029 Da
• Monoisotopic Mass: 92.0029 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

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2. Jishuai Wang, Botian Li, Qingjun Jin, Xinyi Huang, Jie Shen, Chengyou Kan.  (2015)  Preparation of covalently colored polymer latex through miniemulsion polymerization based on a polymerizable dye.  DESIGNED MONOMERS AND POLYMERS,      [PMID:] [10.1080/15685551.2015.1045228]

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5. Yu Duan, Na Sun, Min Xue, Xiaolan Wang, Hu Yang.  (2017)  Synthesis of regioselectively acylated quercetin analogues with improved antiplatelet activity.  Molecular Medicine Reports,  16  (6): (9735-9740).  [PMID:29039540] [10.3892/mmr.2017.7781]

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7. Saizhen Guo, Ming Zhang, Xingyuan Zhang, Wenjuan Yuan, Chengting Zi, Zemin Xiang, Yongkai Xi.  (2025)  Antitumor Activity of Tetrahydro-β-carboline Derivatives via Inhibition of Kinesin Spindle Protein: Validation by Molecular Docking, Molecular Dynamics, and In Vitro Assays.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  26  (11): (5396).  [PMID:40508205] [10.3390/ijms26115396]

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