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

CAS: 108-85-0 Cat. No.: B109675 Peso molecular: 163.06 Beilstein Registry Number: 1098373 Número 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

Normal

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180625
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180625
• Sonrisas canónicas: C1CCC(CC1)Br
• IUPAC Name: bromocyclohexane
• InChIKey: AQNQQHJNRPDOQV-UHFFFAOYSA-N
• INCHI: 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
• Isómeros SMILES: C1CCC(CC1)Br
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Alkyl halides
      • Subclass Cyclohexyl halides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in ethanol and ether.
• Sensibilidad: Light sensitive.
• Índice de refracción: 1.4957
• Punto de inflamación (°F): 145.4 °F
• Punto de inflamación (°C): 62℃
• Punto de ebullición (°C): 166.2°C
• Punto de fusión (°C): -56.5°C
• Peso molecular: 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

Referencias

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]