1,3-Diethynylbenzene - ≥97% , CAS No.1785-61-1

CAS: 1785-61-1 Cat. No.: M131806 Summenformel: C₁₀H₆ Molekulargewicht: 126.16 EG-Nummer: 628-564-9

GRADE & PURITY ≥97%

Synonyms

Benzene,1,3-diethynyl- | A812383 | DTXSID20170491 | E10067 | FT-0628177 | InChI=1/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8 | J-011386 | EN300-1842440 | AS-46667 | Benzene, 1,3-diethynyl- | AMY38468 | 1,3-Diethynylbenzene, 97% | AKOS006223442 | PNXLPYYXCOXPB

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

1,3-Diethynylbenzene may be used to synthesize mono- and di- 1,4-substituted-1,2,3-triazole ligands, which have the property to self-assemble into metallo-cyclic structures in the presence of silver ions.

Specifications

Synonyme

Benzene,1,3-diethynyl- | A812383 | DTXSID20170491 | E10067 | FT-0628177 | InChI=1/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8 | J-011386 | EN300-1842440 | AS-46667 | Benzene, 1,3-diethynyl- | AMY38468 | 1,3-Diethynylbenzene, 97% | AKOS006223442 | PNXLPYYXCOXPB

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504756901

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756901

Kanonisches Lächeln

C#CC1=CC(=CC=C1)C#C

IUPAC Name

1,3-diethynylbenzene

InChIKey

PNXLPYYXCOXPBM-UHFFFAOYSA-N

INCHI

1S/C10H6/c1-3-9-6-5-7-10(4-2)8-9/h1-2,5-8H

Isomere SMILES

C#CC1=CC(=CC=C1)C#C

WGK Deutschland

3

Molekulargewicht

126.16

Reaxy-Rn

2038364

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038364&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

Abcc1 Multidrug resistance-associated protein 1 (42 Activities)

Discover Target: Abcc1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Brechungsindex: 1.582
• Flammpunkt (°F): 163.4 °F
• Flammpunkt (°C): 64°C(lit.)
• Siedepunkt (°C): 188-189 °C
• Schmelzpunkt (°C): -3 °C
• Molekulargewicht: 126.150 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 126.047 Da
• Monoisotopic Mass: 126.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 173.000
• 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

Häufig gestellte Fragen

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1785-61-1, the molecular formula is C10H6, and the molecular weight is 126.16 g/mol. InChIKey PNXLPYYXCOXPBM-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.