2-Chloro-2-methylpropane-d₉ - ≥99 atom% D , CAS No.918-20-7

CAS: 918-20-7 Cat. No.: C474163 Formula: C₄D₉Cl Peso molecolare: 101.62 Numero EC: 213-041-6

GRADE & PURITY ≥99 atom% D

Synonyms

(2H9)-tert-Butyl chloride | HY-150519S | 2-Chloro-2-methylpropane-d9 | SCHEMBL2913161 | perdeutero t-butyl chloride | 2-Chloro-2-methylpropane-d9, 99 atom % D | 2-chloro-2-(?H?)methyl(?H?)propane | 2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)pr

Storage

Room temperature

Specifications

Sinonimi

(2H9)-tert-Butyl chloride | HY-150519S | 2-Chloro-2-methylpropane-d9 | SCHEMBL2913161 | perdeutero t-butyl chloride | 2-Chloro-2-methylpropane-d9, 99 atom % D | 2-chloro-2-(?H?)methyl(?H?)propane | 2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)pr

Specifiche e purezza

≥99 atom% D

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥99 atom% D

Nomi e identificatori

• Sorrisi canonici: CC(C)(C)Cl
• IUPAC Name: 2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
• InChIKey: NBRKLOOSMBRFMH-GQALSZNTSA-N
• INCHI: 1S/C4H9Cl/c1-4(2,3)5/h1-3H3/i1D3,2D3,3D3
• Isomeri SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Cl
• Peso molecolare: 101.62
• Reaxy-Rn: 1730872
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730872&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organochlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organochlorides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organochlorides
• Alternative Parents: Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organochloride - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as organochlorides. These are compounds containing a chemical bond between a carbon atom and a chlorine atom.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 101.620 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 101.096 Da
• Monoisotopic Mass: 101.096 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 25.100
• Isotope Atom Count: 9
• 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

Domande frequenti

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 918-20-7, the molecular formula is C4D9Cl, and the molecular weight is 101.62 g/mol. InChIKey NBRKLOOSMBRFMH-GQALSZNTSA-N.

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.