2,2,3-Trimethylbutane - ≥98% , CAS No.464-06-2

CAS: 464-06-2 Cat. No.: T161703 Summenformel: C₇H₁₆ Molekulargewicht: 100.21 Beilstein Registry Number: 1730760 EG-Nummer: 207-346-3 PubChem CID: 10044

GRADE & PURITY ≥98%

Synonyms

Pentamethylethane | Butane, 2,2,3-trimethyl- | Q209116 | 40V943JDGR | MFCD00039846 | trimethylbutane | Triptane | NSC 73938 | Triptan | Butane,2,3-trimethyl- | AKOS015903139 | 2,2,3-TRIMETHYLBUTANE | 2,2,3-trimethyl-butane | AMY31971 | 2,3-Trimethylbutane

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyme

Pentamethylethane | Butane, 2,2,3-trimethyl- | Q209116 | 40V943JDGR | MFCD00039846 | trimethylbutane | Triptane | NSC 73938 | Triptan | Butane,2,3-trimethyl- | AKOS015903139 | 2,2,3-TRIMETHYLBUTANE | 2,2,3-trimethyl-butane | AMY31971 | 2,3-Trimethylbutane

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

FedEx DG Service

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504751900

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751900

Kanonisches Lächeln

CC(C)C(C)(C)C

IUPAC Name

2,2,3-trimethylbutane

InChIKey

ZISSAWUMDACLOM-UHFFFAOYSA-N

INCHI

1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3

Isomere SMILES

CC(C)C(C)(C)C

WGK Deutschland

2

PubChem CID

10044

UN-Nummer

1206

Verpackungsgruppe

II

Molekulargewicht

100.21

Beilstein

1730760

Reaxy-Rn

1730756

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.39
• Flammpunkt (°F): 19.4 °F
• Flammpunkt (°C): -20°C(lit.)
• Siedepunkt (°C): 81°C
• Schmelzpunkt (°C): -24°C(lit.)
• Molekulargewicht: 100.200 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 100.125 Da
• Monoisotopic Mass: 100.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 45.500
• 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

Häufig gestellte Fragen

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 464-06-2, the molecular formula is C7H16, and the molecular weight is 100.21 g/mol. InChIKey ZISSAWUMDACLOM-UHFFFAOYSA-N.

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.