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

CAS: 108-85-0 Cat. No.: B109675 Formule: C₆H₁₁Br Poids moléculaire: 163.06 Beilstein Registry Number: 1098373 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488180625
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180625
• Sourires canoniques: C1CCC(CC1)Br
• IUPAC Name: bromocyclohexane
• InChIKey: AQNQQHJNRPDOQV-UHFFFAOYSA-N
• INCHI: 1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
• Isomères SMILES: C1CCC(CC1)Br
• WGK Allemagne: 3
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, soluble in ethanol and ether.
• Sensibilité: Light sensitive.
• Indice de réfraction: 1.4957
• Point d'éclair (°F): 145.4 °F
• Point d'éclair (°C): 62℃
• Point d'ébullition (°C): 166.2°C
• Point de fusion (°C): -56.5°C
• Poids moléculaire: 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

Références

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]