Bromocyclohexane-d₁₁ - ≥98 atom% D,≥98% , CAS No.35558-49-7

CAS: 35558-49-7 Cat. No.: B464641 Summenformel: C₆D₁₁Br Molekulargewicht: 174.12 EG-Nummer: 106-330-2

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Bromocyclohexane-d11, >=98 atom % D, >=98% (CP) | HY-W017209S | SCHEMBL1330950 | AKOS015915640 | D99553 | 1-Bromo(~2~H_11_)cyclohexane | MS-22933 | 1-bromo(?H??)cyclohexane | 1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexane | Bromocyclohexane-d11 |

Storage

Argon charged,Room temperature

Specifications

Synonyme

Bromocyclohexane-d11, >=98 atom % D, >=98% (CP) | HY-W017209S | SCHEMBL1330950 | AKOS015915640 | D99553 | 1-Bromo(~2~H_11_)cyclohexane | MS-22933 | 1-bromo(?H??)cyclohexane | 1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexane | Bromocyclohexane-d11 |

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Argon charged,Room temperature

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1CCC(CC1)Br
• IUPAC Name: 1-bromo-1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexane
• InChIKey: AQNQQHJNRPDOQV-KAFHOZLVSA-N
• INCHI: 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2/i1D2,2D2,3D2,4D2,5D2,6D
• Isomere SMILES: [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])Br)([2H])[2H])([2H])[2H])[2H]
• Molekulargewicht: 174.12
• Reaxy-Rn: 1098373
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098373&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Klasse Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Alkyl halides
• Subclass: Cyclohexyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexyl halides
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Hydrocarbon derivative - Organobromide - Alkyl bromide - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclohexyl halides. These are organohalogen compounds containing a monocyclic cyclohexane moiety that is substituted at one or more positions by an halogen 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Brechungsindex: n20/D 1.492 (lit.)
• Siedepunkt (°C): 166-167 °C (lit.)
• Molekulargewicht: 174.120 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 173.073 Da
• Monoisotopic Mass: 173.073 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• Isotope Atom Count: 11
• 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