Cas no 13280-07-4 (4-Chloro-2-butyn-1-ol)

4-Chloro-2-butyn-1-ol (CAS: 54063-26-6) is a versatile alkyne alcohol derivative with a chloro substituent at the 4-position. This compound features a terminal hydroxyl group and a triple bond, making it a valuable intermediate in organic synthesis, particularly for constructing complex molecular frameworks. Its reactive functional groups enable diverse transformations, including nucleophilic substitutions, coupling reactions, and cyclizations. The presence of both chloro and hydroxyl groups enhances its utility in pharmaceutical and agrochemical applications, where it serves as a precursor for heterocyclic compounds and bioactive molecules. Its high purity and stability under controlled conditions ensure reliable performance in research and industrial processes. The compound's unique structure also facilitates studies in click chemistry and material science.
4-Chloro-2-butyn-1-ol structure
4-Chloro-2-butyn-1-ol structure
Product Name:4-Chloro-2-butyn-1-ol
CAS No:13280-07-4
MF:C4H5ClO
MW:104.534900426865
MDL:MFCD01656722
CID:86901
PubChem ID:202775
Update Time:2025-07-02

4-Chloro-2-butyn-1-ol Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2-butyn-1-ol
    • 4-chlorobut-2-yn-1-ol
    • 1-Chloro-2-butyn-4-ol
    • 1-chloro-4-hydroxy-2-butyne
    • 1-Chloro-4-hydroxybut-2-yne
    • 2-Butyn-1-ol,4-chloro
    • 4-chloro-2-butyne-1-ol
    • 4-chloro-but-2-yn-1-ol
    • 4-chlorobut-2-yne-1-ol
    • 4-hydroxybut-2-ynyl chloride
    • 4-chloro-2-butyn-1-o
    • BRN 1098382
    • FT-0692461
    • 2-Butyn-1-ol, 4-chloro-
    • SY109483
    • SCHEMBL500202
    • CS-0262802
    • EN300-83765
    • 4-Chloro-2-butynol
    • MFCD01656722
    • InChI=1/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H
    • RPUJAOFSZSEVPC-UHFFFAOYSA-N
    • F83383
    • AKOS005257737
    • DTXSID80157804
    • 4-Chloro-2-butyn-1-ol, >=95.0% (GC)
    • 13280-07-4
    • 4-01-00-02220 (Beilstein Handbook Reference)
    • MDL： MFCD01656722
    • Inchi： 1S/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H2
    • InChI Key： RPUJAOFSZSEVPC-UHFFFAOYSA-N
    • SMILES： ClCC#CCO
    • BRN： 1098382

Computed Properties

  • Exact Mass: 104.00300
  • Monoisotopic Mass: 104.003
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 76
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 20.2A^2

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1,213 g/cm3
  • Boiling Point: 92-34°C 13mm
  • Flash Point: Fahrenheit: 165.2 ° f
    Celsius: 74 ° c
  • Refractive Index: 1.5004
  • Solubility: Miscible with diethyl ether.
  • PSA: 20.23000
  • LogP: 0.22090
  • Solubility: Not determined

4-Chloro-2-butyn-1-ol Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302-H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：UN 1987
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S23-S26-S36/37/39-S45
  • RTECS：ES0725000
  • Hazardous Material Identification： Xn
  • Safety Term：S23;S26;S36/37/39;S45
  • Packing Group：II
  • Packing Group：II
  • Risk Phrases：R10; R23/24/25; R34
  • PackingGroup：II
  • Storage Condition：?20°C

4-Chloro-2-butyn-1-ol Customs Data

  • HS CODE：2905590090
  • Customs Data：

    China Customs Code:

    2905590090

    Overview:

    2905590090 Halogenation of other acyclic alcohols\Sulfonated and other derivatives.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:5.5%.General tariff:30.0%

4-Chloro-2-butyn-1-ol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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4-Chloro-2-butyn-1-ol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Pyridine ,  Thionyl chloride Solvents: Benzene ;  5 h, 0 °C; overnight, 0 °C
Reference
Ketyl-Allene Cyclizations Promoted by Samarium(II) Iodide
Molander, Gary A.; et al, Journal of Organic Chemistry, 2005, 70(7), 2622-2626

Production Method 2

Reaction Conditions
1.1 Reagents: Pyridine ,  Thionyl chloride Solvents: Benzene
Reference
Synthesis of 2,2,4-triphenyl-3-propenoyl-3,4-dihydro-2H-benzopyran via a lithiated allene
Adegoke, E. A.; et al, Journal of Heterocyclic Chemistry, 1986, 23(4), 1195-8

Production Method 3

Reaction Conditions
1.1 Reagents: Triethylamine ,  Thionyl chloride Solvents: Dichloromethane ;  1 h, 10 °C; 15 min, 10 °C; 10 °C → rt; overnight, rt
Reference
Cyclopropyl building blocks for organic synthesis, 131. Palladium-catalyzed bicyclization with carbonyl insertion of alkenyl-tethered propargyl carbonates towards a scalable synthesis of various 2-(bicyclo[3.1.0]hex-1-yl)acrylates
Bagutski, Viktor; et al, Advanced Synthesis & Catalysis, 2006, 348(15), 2133-2147

4-Chloro-2-butyn-1-ol Preparation Products

4-Chloro-2-butyn-1-ol Related Literature

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