4-Octyne - ≥99% , CAS No.1942-45-6

CAS: 1942-45-6 Cat. No.: O106927 분자식: C₈H₁₄ 분자량: 110.2 Beilstein Registry Number: 1732138 EC 번호: 217-730-2

등급 & 순도 ≥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

개요

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

사양

동의어

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 |

사양 및 순도

≥99%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

488182197

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCCC#CCCC

WGK 독일

3

UN 번호

3295

포장 그룹

III

분자량

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
    • 분류 Unsaturated hydrocarbons
      • Subclass Acetylenes
        • Level5 Acyclic acetylenes
          • Level6 Alkynes
            • Level7 Terminal alkynes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Sparingly soluble in water( 29.1 mg/L).
• 굴절률: 1.424-1.426
• 발화점(°F): 68°F
• 발화점(°C): 20 °C
• 끓는점(°C): 131-132°C
• 녹는점(°C): -103°C
• 분자량: 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

자주 묻는 질문

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.