1-Phenyl-1-propyne - ≥98%(GC) , CAS No.673-32-5

CAS: 673-32-5 Cat. No.: P141240 분자식: C₉H₈ 분자량: 116.16 Beilstein Registry Number: 5514 EC 번호: 211-607-7 PubChem CID: 69601

GRADE & PURITY ≥98%(GC)

Synonyms

ghl.PD_Mitscher_leg0.471 | 1-Phenyl-1-propyne, 99% | 1-Propynylbenzene | D71012 | 1-Methyl-2-phenylacetylene | 1-penyl-1-propine | MFCD00009272 | P0219 | 1-Phenylpropyne | 448376BFQC | Prop-1-ynylbenzene | Prop-1-ynyl-benzene | SY048557 | DTXSID10217667 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

개요

Product Application:

1-Phenyl-1-propyne is used as a intermediate for phrama industry and chemical research.

Specifications

동의어

ghl.PD_Mitscher_leg0.471 | 1-Phenyl-1-propyne, 99% | 1-Propynylbenzene | D71012 | 1-Methyl-2-phenylacetylene | 1-penyl-1-propine | MFCD00009272 | P0219 | 1-Phenylpropyne | 448376BFQC | Prop-1-ynylbenzene | Prop-1-ynyl-benzene | SY048557 | DTXSID10217667 |

사양 및 순도

≥98%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 488184369
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184369
• 정식 스마일: CC#CC1=CC=CC=C1
• IUPAC Name: prop-1-ynylbenzene
• InChIKey: GHUURDQYRGVEHX-UHFFFAOYSA-N
• INCHI: 1S/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H3
• 이성체 SMILES: CC#CC1=CC=CC=C1
• WGK 독일: 3
• PubChem CID: 69601
• 분자량: 116.16
• Beilstein: 5514
• Reaxy-Rn: 1071474

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

관련 대상(인간)

DBH Tchem Dopamine beta-hydroxylase (131 Activities)

Discover Target: DBH

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Sparingly soluble in water (0.26 g/L) (25°C).
• 감도: Light & Air sensitive
• 굴절률: 1.563-1.565
• 발화점(°F): 143°F
• 발화점(°C): 62°C
• 끓는점(°C): 185 °C
• 분자량: 116.160 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 116.063 Da
• Monoisotopic Mass: 116.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 127.000
• 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

참고 문헌

1. Lingqi Huang, Kecheng Hu, Ganggang Ye, Zhibin Ye.  (2021)  Highly selective semi-hydrogenation of alkynes with a Pd nanocatalyst modified with sulfide-based solid-phase ligands.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2021.111535]