1-Bromo-2-fluorocyclohexane - ≥96% , CAS No.656-57-5

CAS: 656-57-5 Cat. No.: B152772 Summenformel: C₆H₁₀BrF Molekulargewicht: 181.05 EG-Nummer: 678-232-2

QUALITÄT & REINHEIT ≥96%

Synonyms

1-Bromo-2-fluorocyclohexane | 1-bromo-2-fluoro-cyclohexane | C6H10BrF | Cyclohexane, 1-bromo-2-fluoro-, trans- | Cyclohexane, 1-bromo-2-fluoro-, cis- | PS-9819 | DTXSID30938024 | cis-1-Bromo-2-Fluorocyclohexane | FT-0676145 | T71186 | 1-Bromo-2-fluorocycl

Storage

Argon charged,Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

1-Bromo-2-fluorocyclohexane | 1-bromo-2-fluoro-cyclohexane | C6H10BrF | Cyclohexane, 1-bromo-2-fluoro-, trans- | Cyclohexane, 1-bromo-2-fluoro-, cis- | PS-9819 | DTXSID30938024 | cis-1-Bromo-2-Fluorocyclohexane | FT-0676145 | T71186 | 1-Bromo-2-fluorocycl

Spezifikationen & Reinheit

≥96%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

504757200

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757200

Kanonisches Lächeln

C1CCC(C(C1)F)Br

IUPAC Name

1-bromo-2-fluorocyclohexane

InChIKey

AZQRVGXSORXOCR-UHFFFAOYSA-N

INCHI

1S/C6H10BrF/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2

Isomere SMILES

C1CCC(C(C1)F)Br

Molekulargewicht

181.05

Reaxy-Rn

2036634

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036634&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: Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Hydrocarbon derivative - Organofluoride - Organobromide - Alkyl fluoride - 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: Air Sensitive
• Brechungsindex: 1.48
• Flammpunkt (°C): 57 °C
• Siedepunkt (°C): 78°C/16mmHg(lit.)
• Molekulargewicht: 181.050 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 179.995 Da
• Monoisotopic Mass: 179.995 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1