1,4-Dibromobutane-d₈ - ≥98 atom% D , CAS No.68375-92-8

CAS: 68375-92-8 Cat. No.: D472039 Formula: BrCD₂(CD₂)₂CD₂Br Peso molecolare: 223.96 Numero EC: 685-800-3

QUALITÀ & PUREZZA ≥98 atom% D

Synonyms

Butane-1,1,2,2,3,3,4,4-d8,1,4-dibromo- | HY-W242724 | 1,4-Dibromo-butane-1,1,2,2,3,3,4,4-d8 | Butane-1,1,2,2,3,3,4,4-d8, 1,4-dibromo- | DTXSID40583822 | 1,4-Dibromobutane-d8, 98 atom % D | 68375-92-8 (unlabeled) | AKOS015913692 | 1,4-Dibromo(~2~H_8_)butan

Storage

Room temperature

Specifiche

Sinonimi

Butane-1,1,2,2,3,3,4,4-d8,1,4-dibromo- | HY-W242724 | 1,4-Dibromo-butane-1,1,2,2,3,3,4,4-d8 | Butane-1,1,2,2,3,3,4,4-d8, 1,4-dibromo- | DTXSID40583822 | 1,4-Dibromobutane-d8, 98 atom % D | 68375-92-8 (unlabeled) | AKOS015913692 | 1,4-Dibromo(~2~H_8_)butan

Specifiche e purezza

≥98 atom% D

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98 atom% D

Nomi e identificatori

Sorrisi canonici

C(CCBr)CBr

IUPAC Name

1,4-dibromo-1,1,2,2,3,3,4,4-octadeuteriobutane

InChIKey

ULTHEAFYOOPTTB-SVYQBANQSA-N

INCHI

1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2/i1D2,2D2,3D2,4D2

Isomeri SMILES

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

Numero UN

2810

Peso molecolare

223.96

Reaxy-Rn

1071199

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071199&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.516 (lit.)
• Punto di infiammabilità (°F): 235.4 °F - closed cup
• Punto di infiammabilità (°C): 113 °C - closed cup
• Punto di ebollizione (°C): 63-65℃/6mmHg (lit.)
• Punto di fusione (°C): −20℃ (lit.)
• Peso molecolare: 223.960 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 223.947 Da
• Monoisotopic Mass: 221.949 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 17.500
• Isotope Atom Count: 8
• 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