Heptane-d₁₆ - ≥99 atom% D , CAS No.33838-52-7

CAS: 33838-52-7 Cat. No.: H118382 Formule: CD₃(CD₂)₅CD₃ Poids moléculaire: 116.3 Numéro CE: 680-746-7

GRADE & PURITY ≥99 atom% D

Synonyms

Heptane-d16, 99 atom % D | MFCD00062744 | Q13640579 | IMNFDUFMRHMDMM-NEBSKJCTSA-N | Heptane-d16 | hexadecadeuterio-heptane | n-Heptane-d{16} | n-heptane-d16 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane | DTXSID40335328 | J-019336 | D98362

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

Heptane-d16, 99 atom % D | MFCD00062744 | Q13640579 | IMNFDUFMRHMDMM-NEBSKJCTSA-N | Heptane-d16 | hexadecadeuterio-heptane | n-Heptane-d{16} | n-heptane-d16 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane | DTXSID40335328 | J-019336 | D98362

Spécifications et pureté

≥99 atom% D

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥99 atom% D

Noms et identifiants

• Sourires canoniques: CCCCCCC
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane
• InChIKey: IMNFDUFMRHMDMM-NEBSKJCTSA-N
• INCHI: 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2
• Isomères SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• WGK Allemagne: 3
• CAS alternatif: 142-82-5(unlabelled)
• Numéro ONU: 1206
• Groupe d'emballage: II
• Poids moléculaire: 116.3
• Reaxy-Rn: 1730763
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730763&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
• 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

Propriétés chimiques et physiques

• Solubilité: Difficult to mix.
• Sensibilité: Light &Moisture sensitive.
• Indice de réfraction: 1.3844
• Point d'éclair (°F): 24.8℉
• Point d'éclair (°C): -4°C
• Point d'ébullition (°C): 98°C
• Point de fusion (°C): -91°C
• Poids moléculaire: 116.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 116.226 Da
• Monoisotopic Mass: 116.226 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 19.200
• Isotope Atom Count: 16
• 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