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

CAS: 75-83-2 Cat. No.: D105772 Molecular Weight: 86.18 Beilstein Registry Number: 1730736 EC Number: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Overview

application：

2,2-Dimethylbutane can be employed as a probe molecule for metal catalysts. It can also be used to investigate cyclohexane-​based phosphinite iridium pincer complexes.

Specifications

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

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice, FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCC(C)(C)C
• WGK Germany: 3
• UN Number: 1208
• Packing Group: II
• Molecular Weight: 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
    • Class Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in alcohol, acetone, ether, benzene. Insoluble in water
• Sensitivity: Moisture sensitive
• Refractive Index: 1.3675-1.3695
• Flash Point(°F): -20.2 °F
• Flash Point(°C): -48.℃
• Boil Point(°C): 50°C
• Melt Point(°C): -100 °C
• Molecular Weight: 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

References

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