6-Dodecyne - ≥98% , CAS No.6975-99-1

CAS: 6975-99-1 Cat. No.: D155775 Formula: C₁₂H₂₂ Peso molecolare: 166.31 Beilstein Registry Number: 1(4)1067 Numero EC: 675-693-1

GRADE & PURITY ≥98%

Synonyms

D89809 | IHPFQAOOSAGSPN-UHFFFAOYSA-N | Di-n-pentylacetylene | 6-dodecine | dodec-6-yne | D1192 | MFCD00041658 | 6-Dodecyne | NSC20570 | NSC-20570 | FT-0621106 | AKOS006229562 | NSC 20570 | DTXSID80220047 | SY049997

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

D89809 | IHPFQAOOSAGSPN-UHFFFAOYSA-N | Di-n-pentylacetylene | 6-dodecine | dodec-6-yne | D1192 | MFCD00041658 | 6-Dodecyne | NSC20570 | NSC-20570 | FT-0621106 | AKOS006229562 | NSC 20570 | DTXSID80220047 | SY049997

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCCCCC#CCCCCC
• IUPAC Name: dodec-6-yne
• InChIKey: IHPFQAOOSAGSPN-UHFFFAOYSA-N
• INCHI: 1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-10H2,1-2H3
• Isomeri SMILES: CCCCCC#CCCCCC
• Peso molecolare: 166.31
• Beilstein: 1(4)1067
• Reaxy-Rn: 1737397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1737397&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.44
• Punto di ebollizione (°C): 209°C(lit.)
• Peso molecolare: 166.300 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 166.172 Da
• Monoisotopic Mass: 166.172 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 119.000
• 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