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

CAS: 33838-52-7 Cat. No.: H118382 分子式: CD₃(CD₂)₅CD₃ 分子量: 116.3 EC番号: 680-746-7

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥99 atom% D

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥99 atom% D

名前と識別子

カノニカル・スマイル

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

異性体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ドイツ

3

代替CAS番号

142-82-5(unlabelled)

UN番号

1206

包装グループ

II

分子量

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
    • 分類 Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Difficult to mix.
• 感度: Light &Moisture sensitive.
• 屈折率: 1.3844
• 引火点（°F）: 24.8℉
• 引火点（°C）: -4°C
• 沸点（°C）: 98°C
• 融点（°C）: -91°C
• 分子量: 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