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

CAS: 35558-49-7 Cat. No.: B464641 Formula: C₆D₁₁Br Peso molecolare: 174.12 Numero EC: 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

Sinonimi

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 |

Specifiche e purezza

≥98 atom% D,≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Purezza

≥98 atom% D,≥98%

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])Br)([2H])[2H])([2H])[2H])[2H]
• Peso molecolare: 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
    • Classe Alkyl halides
      • Subclass Cyclohexyl halides

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

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Indice di rifrazione: n20/D 1.492 (lit.)
• Punto di ebollizione (°C): 166-167 °C (lit.)
• Peso molecolare: 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