2,2-Diméthylbutane - ≥97% , CAS No.75-83-2

CAS: 75-83-2 Cat. No.: D105772 Formule: C₆H₁₄ Poids moléculaire: 86.18 Beilstein Registry Number: 1730736 Numéro CE: 200-906-8

GRADE & PURITY ≥97%

Synonyms

AKOS024438081 | D0689 | Q209136 | Neohexane | NCGC00091659-02 | 2,2-DIMETHYLBUTANE | 2,2-Dimethyl-butane | CAS-75-83-2 | Butane,2-dimethyl- | NCGC00091659-01 | UNII-07L56L3MP2 | WLN: 2X1&1&1 | 2,2-Dimethylbutane, analytical standard | MFCD00009321 | HSDB

Storage

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Vue d’ensemble

application：

le 2,2-diméthylbutane peut être utilisé comme molécule sonde pour les catalyseurs métalliques. Il peut également être utilisé pour étudier les complexes de pince à iridium phosphinite à base de cyclohexane.

Specifications

Synonymes

AKOS024438081 | D0689 | Q209136 | Neohexane | NCGC00091659-02 | 2,2-DIMETHYLBUTANE | 2,2-Dimethyl-butane | CAS-75-83-2 | Butane,2-dimethyl- | NCGC00091659-01 | UNII-07L56L3MP2 | WLN: 2X1&1&1 | 2,2-Dimethylbutane, analytical standard | MFCD00009321 | HSDB

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 508808579
• Sourires canoniques: CCC(C)(C)C
• IUPAC Name: 2,2-dimethylbutane
• InChIKey: HNRMPXKDFBEGFZ-UHFFFAOYSA-N
• INCHI: 1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3
• Isomères SMILES: CCC(C)(C)C
• WGK Allemagne: 3
• Numéro ONU: 1208
• Groupe d'emballage: II
• Poids moléculaire: 86.18
• Beilstein: 1730736
• Reaxy-Rn: 1730736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730736&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: Branched alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Branched alkane - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as branched alkanes. These are acyclic branched hydrocarbons having the general formula CnH2n+2.
• 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

Cibles associées (humaines)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in alcohol, acetone, ether, benzene. Insoluble in water
• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.3675-1.3695
• Point d'éclair (°F): -20.2 °F
• Point d'éclair (°C): -48.℃
• Point d'ébullition (°C): 50°C
• Point de fusion (°C): -100 °C
• Poids moléculaire: 86.180 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 86.1096 Da
• Monoisotopic Mass: 86.1096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 29.800
• 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

Références

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3. Ruijuan Duan, Meiling Qi.  (2021)  Amphiphilic triblock copolymer as the gas chromatographic stationary phase with high-resolution performance towards a wide range of isomers and the components of lemon essential oil.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:34666270] [10.1016/j.chroma.2021.462611]

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5. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons.  ELECTROPHORESIS,      [PMID:30942493] [10.1002/elps.201800540]

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7. Jing-ran Yu, Pan-pan Zhang, Jia-yu Ding, Yue-bin Liu, Wei-hai Lin, Wei Shao, Jia-jia He, Qihan Gong, Ming Xue.  (2024)  UiO-66/PIM-1 Mixed-Matrix Membrane for Hexane Isomer Separation.  INORGANIC CHEMISTRY,      [PMID:38957956] [10.1021/acs.inorgchem.4c01740]

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