Phenyl acetyl chloride - ≥98% , CAS No.103-80-0

CAS: 103-80-0 Cat. No.: P109202 Peso molecular: 154.59 Beilstein Registry Number: 742254 Número EC: 203-146-5

GRADE & PURITY ≥98%

Synonyms

PHENYLACETYL CHLORIDE | phenyl-acetyl chloride | STR00124 | phenyl acetic acid chloride | Phenylacetic acid chloride | EN300-65600 | phenyl acetyl chloride | BBL011387 | 2-phenylethanoyl chloride | BnCOCl | Q-201559 | UN2577 | UN-2577 | .alpha.-Phenylacet

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

PHENYLACETYL CHLORIDE | phenyl-acetyl chloride | STR00124 | phenyl acetic acid chloride | Phenylacetic acid chloride | EN300-65600 | phenyl acetyl chloride | BBL011387 | 2-phenylethanoyl chloride | BnCOCl | Q-201559 | UN2577 | UN-2577 | .alpha.-Phenylacet

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice, FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)CC(=O)Cl
• IUPAC Name: 2-phenylacetyl chloride
• InChIKey: VMZCDNSFRSVYKQ-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2
• Isómeros SMILES: C1=CC=C(C=C1)CC(=O)Cl
• WGK Alemania: 3
• Número ONU: 2577
• Grupo de embalaje: II
• Peso molecular: 154.59
• Beilstein: 742254
• Reaxy-Rn: 742254
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742254&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Miscible with alcohol and ether.
• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.5325
• Punto de inflamación (°F): 215.6 °F
• Punto de inflamación (°C): 102℃
• Punto de ebullición (°C): 211°C
• Peso molecular: 154.590 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 154.019 Da
• Monoisotopic Mass: 154.019 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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

1. Huang Xueyan, Chen Fei, Ma Yeshuo, Zheng Fan, Fang Yanpeng, Feng Bin, Huang Shuai, Zeng Hongliang, Zeng Wenbin.  (2023)  De novo design of a novel AIE fluorescent probe tailored to autophagy visualization via pH manipulation.  Biomaterials Research,  27  (1): (1-17).  [PMID:36915215] [10.1186/s40824-023-00359-w]

2. Xinyue Deng, Wentang Wang, Ning Wei, Chunhui Luo.  (2022)  From grape seed extract to highly sensitive sensors with adhesive, self-healable and biocompatible properties.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2022.111751]

3. Zhongda Wu, Yanting Du, Quan Zhou, Lianqing Chen.  (2019)  One pot solvothermal synthesis of novel fluorescent phloem-mobile phenylpyrazole amide pesticides fused olefin moieties to enhance insecticidal bioactivities and photodegradation properties.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:31973870] [10.1016/j.pestbp.2019.10.003]

4. Chunyu Pan, Min Li.  (2026)  A novel hesperetin derivative DU12 targets cyclin-dependent kinase 17 (CDK17) to inhibit malignant progression of ovarian cancer.  BIOCHEMICAL PHARMACOLOGY,      [PMID:] [10.1016/j.bcp.2026.118069]