Bromocicloesano - ≥98% , CAS No.108-85-0

CAS: 108-85-0 Cat. No.: B109675 Formula: C₆H₁₁Br Peso molecolare: 163.06 Beilstein Registry Number: 1098373 Numero EC: 203-622-2

GRADE & PURITY ≥98%

Synonyms

NSC 11207 | AKOS009031571 | AI3-28585 | P19773 | UNII-YA0UMS4RNY | InChI=1/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H | SCHEMBL54243 | YA0UMS4RNY | J-520166 | DTXSID1044148 | J-002197 | B0581 | cyclohexylbromide | F0001-0181 | CYCLOHEXYL BROMIDE [MI] | Q82427 | NS

Storage

Protected from light,Room temperature

Shipped In

Normale

Specifications

Sinonimi

NSC 11207 | AKOS009031571 | AI3-28585 | P19773 | UNII-YA0UMS4RNY | InChI=1/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H | SCHEMBL54243 | YA0UMS4RNY | J-520166 | DTXSID1044148 | J-002197 | B0581 | cyclohexylbromide | F0001-0181 | CYCLOHEXYL BROMIDE [MI] | Q82427 | NS

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488180625
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180625
• Sorrisi canonici: C1CCC(CC1)Br
• IUPAC Name: bromocyclohexane
• InChIKey: AQNQQHJNRPDOQV-UHFFFAOYSA-N
• INCHI: 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
• Isomeri SMILES: C1CCC(CC1)Br
• WGK Germania: 3
• Peso molecolare: 163.06
• Beilstein: 1098373
• 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

• Solubilità: Insoluble in water, soluble in ethanol and ether.
• Sensibilità: Light sensitive.
• Indice di rifrazione: 1.4957
• Punto di infiammabilità (°F): 145.4 °F
• Punto di infiammabilità (°C): 62℃
• Punto di ebollizione (°C): 166.2°C
• Punto di fusione (°C): -56.5°C
• Peso molecolare: 163.060 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 162.004 Da
• Monoisotopic Mass: 162.004 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• Isotope Atom Count: 0
• 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

Riferimenti

1. Hao Li, Wenbo Xie, Lei Zeng, Wen Li, Boan Shi, Fuhou Lei.  (2022)  Development and evaluation of a hydrogenated rosin (β-acryloxyl ethyl) ester–bonded silica stationary phase for high-performance liquid chromatography separation of paclitaxel from yew bark.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35038614] [10.1016/j.chroma.2022.462815]