Cas no 80151-26-4 (3-(2-Chlorophenyl)prop-2-yn-1-ol)

3-(2-Chlorophenyl)prop-2-yn-1-ol is a chlorinated phenyl propargyl alcohol derivative with applications in organic synthesis and pharmaceutical intermediates. Its key structural features include a terminal alkyne group and a hydroxyl moiety, enabling versatile reactivity in coupling reactions, cyclizations, and functional group transformations. The presence of the 2-chlorophenyl substituent enhances its utility in constructing complex aromatic frameworks. This compound is particularly valuable in medicinal chemistry for the development of bioactive molecules due to its ability to serve as a scaffold for further derivatization. High purity grades ensure consistent performance in research and industrial processes. Proper handling is advised due to its reactive functional groups.
3-(2-Chlorophenyl)prop-2-yn-1-ol structure
80151-26-4 structure
Product Name:3-(2-Chlorophenyl)prop-2-yn-1-ol
CAS No:80151-26-4
MF:C9H7ClO
MW:166.604281663895
MDL:MFCD04039063
CID:719718
PubChem ID:4111717
Update Time:2025-06-07

3-(2-Chlorophenyl)prop-2-yn-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2-Propyn-1-ol,3-(2-chlorophenyl)-
    • 3-(2-CHLOROPHENYL)PROP-2-YN-1-OL
    • 3-(2-chlorophenyl)-2-propyn-1-ol
    • 3-(2-chlorophenyl)-prop-2-yn-1-ol
    • 3-(2-chlorophenyl)prop-2-ynyl alcohol
    • OR7380
    • DTXSID50399431
    • PS-5897
    • 3-(2-Chloro-phenyl)-prop-2-yn-1-ol
    • A839853
    • FT-0641751
    • MFCD04039063
    • SCHEMBL3351674
    • 80151-26-4
    • AKOS004117876
    • EN300-311051
    • CS-0245769
    • A50678
    • 3-(2-Chlorophenyl)prop-2-yn-1-ol
    • MDL: MFCD04039063
    • Inchi: 1S/C9H7ClO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,7H2
    • InChI Key: VPTSXDNZKHJDLN-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1C#CCO

Computed Properties

  • Exact Mass: 166.01900
  • Monoisotopic Mass: 166.019
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 177
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2A^2
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.26
  • Boiling Point: 281.5°C at 760 mmHg
  • Flash Point: 124°C
  • Refractive Index: 1.601
  • PSA: 20.23000
  • LogP: 1.68380

3-(2-Chlorophenyl)prop-2-yn-1-ol Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

3-(2-Chlorophenyl)prop-2-yn-1-ol Customs Data

  • HS CODE:2906299090
  • Customs Data:

    China Customs Code:

    2906299090

    Overview:

    2906299090 Other aromatic alcohols. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2906299090 other aromatic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

3-(2-Chlorophenyl)prop-2-yn-1-ol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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