1,3-Dibromopropane-d6 - ≥98%(CP),≥98 atom% D , CAS No.120404-22-0

CAS: 120404-22-0 Cat. No.: D757374 分子式: C₃D₆Br₂ 分子量: 207.92 EC番号: 694-662-3

GRADE & PURITY ≥98%(CP),≥98 atom% D

Synonyms

1,3-dibromopropane-1,1,2,2,3,3-d6 | 1,3-Bis(bromo)propane-d6 | Trimethylene-d6 Bromide | Trimethylene-d6 Dibromide | alpha,gamma-Dibromopropane-d6 | NSC 62663-d6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

1,3-dibromopropane-1,1,2,2,3,3-d6 | 1,3-Bis(bromo)propane-d6 | Trimethylene-d6 Bromide | Trimethylene-d6 Dibromide | alpha,gamma-Dibromopropane-d6 | NSC 62663-d6

仕様と純度

≥98%(CP),≥98 atom% D

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(CP),≥98 atom% D

名前と識別子

パブケム・シド

528753747

カノニカル・スマイル

C(CBr)CBr

IUPAC Name

1,3-dibromo-1,1,2,2,3,3-hexadeuteriopropane

InChIKey

VEFLKXRACNJHOV-NMFSSPJFSA-N

INCHI

1S/C3H6Br2/c4-2-1-3-5/h1-3H2/i1D2,2D2,3D2

異性体SMILES

[2H]C([2H])(C([2H])([2H])Br)C([2H])([2H])Br

代替CAS番号

109-64-8（unlabelled）

UN番号

1993

包装グループ

III

分子量

207.92

Reaxy-Rn

635662

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635662&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine 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

化学的性質と物理的性質

• 沸点（°C）: 167 °C (lit.)
• 融点（°C）: -34 °C (lit.)
• 分子量: 207.920 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 207.919 Da
• Monoisotopic Mass: 205.921 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 12.400
• Isotope Atom Count: 6
• 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