3-Cyclohexyl-1-propyne - ≥97% , CAS No.17715-00-3

CAS: 17715-00-3 Cat. No.: C111193 분자식: C₉H₁₄ 분자량: 122.21 EC 번호: 626-106-2

GRADE & PURITY ≥97%

Synonyms

FT-0613389 | (prop-2-yn-1-yl)cyclohexane | 3-Cyclohexylpropyne | MFCD00041562 | prop-2-ynylcyclohexane | prop-2-ynyl-cyclohexane | prop-2-yn-1-ylcyclohexane | 4-05-00-00419 (Beilstein Handbook Reference) | FT-0615568 | EN300-1852884 | Cyclohexane, 2-propy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

FT-0613389 | (prop-2-yn-1-yl)cyclohexane | 3-Cyclohexylpropyne | MFCD00041562 | prop-2-ynylcyclohexane | prop-2-ynyl-cyclohexane | prop-2-yn-1-ylcyclohexane | 4-05-00-00419 (Beilstein Handbook Reference) | FT-0615568 | EN300-1852884 | Cyclohexane, 2-propy

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

504755871

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755871

정식 스마일

C#CCC1CCCCC1

IUPAC Name

prop-2-ynylcyclohexane

InChIKey

UARFKZSJGDQRLF-UHFFFAOYSA-N

INCHI

1S/C9H14/c1-2-6-9-7-4-3-5-8-9/h1,9H,3-8H2

이성체 SMILES

C#CCC1CCCCC1

WGK 독일

3

RTECS

UK4725000

UN 번호

1993

분자량

122.21

Reaxy-Rn

1849402

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1849402&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• 분류: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetylides
• Alternative Parents: Unsaturated aliphatic hydrocarbons Acetylenes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Acetylide - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that 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: Slightly soluble in water.
• 굴절률: 1.459
• 발화점(°F): 95 °F
• 발화점(°C): 35°C
• 끓는점(°C): 157-158°C
• 분자량: 122.210 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 122.11 Da
• Monoisotopic Mass: 122.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 17715-00-3, the molecular formula is C9H14, and the molecular weight is 122.21 g/mol. InChIKey UARFKZSJGDQRLF-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.