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

CAS: 178312-48-6 Cat. No.: D167989 Fórmula: C₇H₁₂F₂O Peso molecular: 150.17 Número CE: 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

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

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

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 504768970
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768970
• Sorrisos canónicos: 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
• SMILES isoméricas: C1CC(CCC1CO)(F)F
• WGK Alemanha: 3
• Peso molecular: 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
    • 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: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 213.8 °F
• Ponto de inflamação (°C): 101 °C
• Ponto de ebulição (°C): 207-213°C/760mmHg
• Peso molecular: 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