4-Octyne - ≥99% , CAS No.1942-45-6

CAS: 1942-45-6 Cat. No.: O106927 分子式: C₈H₁₄ 分子量: 110.2 Beilstein Registry Number: 1732138 EC番号: 217-730-2

グレード＆純度 ≥99%

Synonyms

Dipropylacetylene | IJI0Q2V1Z6 | O0127 | DTXSID6074338 | FT-0619334 | MFCD00009471 | EINECS 217-730-2 | 4-Octyne, 99% | 1,2-Dipropylacetylene | J-802146 | AKOS015903071 | LS-13466 | n-C3H7C.$.CC3H7 | 4-OCTYNE | InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H |

Storage

Room temperature

Shipped In

FedEx DG Service

概要

The kinetics of the stereoselective semi-hydrogenation of 4-octyne (in tetrahydrofuran) was studied

仕様

同義語

Dipropylacetylene | IJI0Q2V1Z6 | O0127 | DTXSID6074338 | FT-0619334 | MFCD00009471 | EINECS 217-730-2 | 4-Octyne, 99% | 1,2-Dipropylacetylene | J-802146 | AKOS015903071 | LS-13466 | n-C3H7C.$.CC3H7 | 4-OCTYNE | InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H |

仕様と純度

≥99%

保管条件

Room temperature

入荷

FedEx DG Service

純度

≥99%

名前と識別子

パブケム・シド

488182197

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488182197

カノニカル・スマイル

CCCC#CCCC

IUPAC Name

oct-4-yne

InChIKey

GZTNBKQTTZSQNS-UHFFFAOYSA-N

INCHI

1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3

異性体SMILES

CCCC#CCCC

WGKドイツ

3

UN番号

3295

包装グループ

III

分子量

110.2

Beilstein

1732138

Reaxy-Rn

1732138

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732138&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 分類 Unsaturated hydrocarbons
      • Subclass Acetylenes
        • Level5 Acyclic acetylenes
          • Level6 Alkynes
            • Level7 Terminal alkynes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: Unsaturated hydrocarbons
• Subclass: Acetylenes
• Intermediate Tree Nodes: Acyclic acetylenes - Alkynes
• Direct Parent: Terminal alkynes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as terminal alkynes. These are alkynes featuring a carbon substituent on one acetylenic carbon, and a hydrogen on the other carbon.
• 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

化学的性質と物理的性質

• 溶解度: Sparingly soluble in water( 29.1 mg/L).
• 屈折率: 1.424-1.426
• 引火点（°F）: 68°F
• 引火点（°C）: 20 °C
• 沸点（°C）: 131-132°C
• 融点（°C）: -103°C
• 分子量: 110.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 110.11 Da
• Monoisotopic Mass: 110.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 79.100
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1942-45-6, the molecular formula is C8H14, and the molecular weight is 110.2 g/mol. InChIKey GZTNBKQTTZSQNS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.