4,4-Difluorcyclohexanemethanol - ≥95% , CAS No.178312-48-6

CAS: 178312-48-6 Cat. No.: D167989 Summenformel: C₇H₁₂F₂O Molekulargewicht: 150.17 EG-Nummer: 803-121-4

GRADE & PURITY ≥95%

Synonyms

EN300-248778 | PB17865 | XJZNZSLOHZLFQP-UHFFFAOYSA-N | (4,4-Difluorocyclohexyl) methanol | MFCD11847775 | (4,4-DIFLUOROCYCLOHEXYL)METHANOL | (4,4-difluoro-cyclohexyl)methanol | (4,4-Difluoro-cyclohexyl)-methanol | (4,4-difluorocyclohexyl)-methanol | 1,1-D

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

EN300-248778 | PB17865 | XJZNZSLOHZLFQP-UHFFFAOYSA-N | (4,4-Difluorocyclohexyl) methanol | MFCD11847775 | (4,4-DIFLUOROCYCLOHEXYL)METHANOL | (4,4-difluoro-cyclohexyl)methanol | (4,4-Difluoro-cyclohexyl)-methanol | (4,4-difluorocyclohexyl)-methanol | 1,1-D

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504768970
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768970
• Kanonisches Lächeln: C1CC(CCC1CO)(F)F
• IUPAC Name: (4,4-difluorocyclohexyl)methanol
• InChIKey: XJZNZSLOHZLFQP-UHFFFAOYSA-N
• INCHI: 1S/C7H12F2O/c8-7(9)3-1-6(5-10)2-4-7/h6,10H,1-5H2
• Isomere SMILES: C1CC(CCC1CO)(F)F
• WGK Deutschland: 3
• Molekulargewicht: 150.17
• Reaxy-Rn: 13832283
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13832283&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: Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexyl halide - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alkyl fluoride - Alcohol - 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

• Flammpunkt (°F): 213.8 °F
• Flammpunkt (°C): 101 °C
• Siedepunkt (°C): 207-213°C/760mmHg
• Molekulargewicht: 150.170 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 150.086 Da
• Monoisotopic Mass: 150.086 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 104.000
• 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