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

CAS: 103-80-0 Cat. No.: P109202 Molecular Weight: 154.59 Beilstein Registry Number: 742254 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)CC(=O)Cl
• WGK Germany: 3
• UN Number: 2577
• Packing Group: II
• Molecular Weight: 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
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Miscible with alcohol and ether.
• Sensitivity: Moisture Sensitive
• Refractive Index: 1.5325
• Flash Point(°F): 215.6 °F
• Flash Point(°C): 102℃
• Boil Point(°C): 211°C
• Molecular Weight: 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

References

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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]