4-Chloro-2-butyn-1-ol - ≥95% , CAS No.13280-07-4

CAS: 13280-07-4 Cat. No.: C166985 Summenformel: C₄H₅ClO Molekulargewicht: 104.53 Beilstein Registry Number: 1098380 EG-Nummer: 641-314-3

GRADE & PURITY ≥95%

Synonyms

FT-0692461 | BRN 1098382 | 4-Chloro-2-butynol | InChI=1/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H | 2-Butyn-1-ol, 4-chloro- | 1-Chloro-2-butyn-4-ol | RPUJAOFSZSEVPC-UHFFFAOYSA-N | 4-Chloro-2-butyn-1-ol, >=95.0% (GC) | EN300-83765 | MFCD01656722 | F83383 | 4-Chloro-2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Application：

4-Chloro-2-butyn-1-ol is used as a precursor to prepare optically active secondary 2,3-allenols by reacting with the corresponding Grignard reagents in presence of CUCN as catalyst. It is utilized as an intermediate in organic synthesis.

Specifications

Synonyme

FT-0692461 | BRN 1098382 | 4-Chloro-2-butynol | InChI=1/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H | 2-Butyn-1-ol, 4-chloro- | 1-Chloro-2-butyn-4-ol | RPUJAOFSZSEVPC-UHFFFAOYSA-N | 4-Chloro-2-butyn-1-ol, >=95.0% (GC) | EN300-83765 | MFCD01656722 | F83383 | 4-Chloro-2-

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504757819
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757819
• Kanonisches Lächeln: C(C#CCCl)O
• IUPAC Name: 4-chlorobut-2-yn-1-ol
• InChIKey: RPUJAOFSZSEVPC-UHFFFAOYSA-N
• INCHI: 1S/C4H5ClO/c5-3-1-2-4-6/h6H,3-4H2
• Isomere SMILES: C(C#CCCl)O
• WGK Deutschland: 3
• Molekulargewicht: 104.53
• Beilstein: 1098380
• Reaxy-Rn: 1098382
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098382&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with diethyl ether.
• Flammpunkt (°F): 165.2 °F
• Flammpunkt (°C): 74 °C
• Molekulargewicht: 104.530 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 104.003 Da
• Monoisotopic Mass: 104.003 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 76.000
• 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