5-Hexynoic acid - ≥95% , CAS No.53293-00-8

CAS: 53293-00-8 Cat. No.: H111132 Formula: C₆H₈O₂ Peso molecolare: 112.13 Beilstein Registry Number: 1743192 Numero EC: 610-982-8

QUALITÀ & PUREZZA ≥95%

Synonyms

5-Hexyn-1-oic acid;Hex-5-ynoic acid | EN300-111911 | BDBM46128 | Bromophenol blue indicator | cid_143036 | BCP33463 | 5-HEXYNOICACID | 5-Hexynoic acid | LA 96 | Q27140592 | LCWG003 | LMFA01030500 | PB42991 | 5-Hexynoic acid, 97% | 5-Ethyl-N-methyl-5-pheny

Storage

Room temperature

Shipped In

Normal

Panoramica

5-Hexynoic acid may be used in the preparation of: · 5-hexynoic acid methyl ester · 5,8,11-dodecatriynoic acid · 5-isocyanato-1-pentyne

5-Hexynoic acid is an alkynoic acid. It undergoes gold-catalyzed cyclization to form the corresponding methylene lactones.

Specifiche

Sinonimi

5-Hexyn-1-oic acid;Hex-5-ynoic acid | EN300-111911 | BDBM46128 | Bromophenol blue indicator | cid_143036 | BCP33463 | 5-HEXYNOICACID | 5-Hexynoic acid | LA 96 | Q27140592 | LCWG003 | LMFA01030500 | PB42991 | 5-Hexynoic acid, 97% | 5-Ethyl-N-methyl-5-pheny

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504757256

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757256

Sorrisi canonici

C#CCCCC(=O)O

IUPAC Name

hex-5-ynoic acid

InChIKey

VPFMEXRVUOPYRG-UHFFFAOYSA-N

INCHI

1S/C6H8O2/c1-2-3-4-5-6(7)8/h1H,3-5H2,(H,7,8)

Isomeri SMILES

C#CCCCC(=O)O

WGK Germania

3

Numero UN

3265

Peso molecolare

112.13

Beilstein

1743192

Reaxy-Rn

1743192

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743192&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Unsaturated fatty acid - Straight chain fatty acid - Acetylide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Unsaturated fatty acids

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

Obiettivi associati (umani)

PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

Discover Target: PTPN7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GAPDH Tchem Glyceraldehyde-3-phosphate dehydrogenase liver (1284 Activities)

Discover Target: GAPDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Miscible with water.
• Indice di rifrazione: 1.448-4.45
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): 110℃
• Punto di ebollizione (°C): 224-225°C
• Peso molecolare: 112.130 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 112.052 Da
• Monoisotopic Mass: 112.052 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 118.000
• 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