2,2,3,3,4,4,4-Heptafluoro-1-butanol - ≥98% , CAS No.375-01-9

CAS: 375-01-9 Cat. No.: H133679 Peso molecular: 200.06 Beilstein Registry Number: 1(4)1547 Número EC: 206-782-1

GRADE & PURITY ≥98%

Synonyms

AI3-29339 | B7F | 2,2,3,3,4,4,4-Heptafluoro-1-butanol | 3:1 Fluorotelomer alcohol | SCHEMBL197087 | 2,3,3,4,4,4-Heptafluorobutanol | FS-3824 | NSC60528 | NSC-60528 | 1H,1H-Heptafluorobutanol-1 | O10555 | Butanol, 2,2,3,3,4,4,4-heptafluoro- | FT-0609061 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AI3-29339 | B7F | 2, 2, 3, 3, 4, 4, 4-Heptafluoro-1-butanol | 3:1 Fluorotelomer alcohol | SCHEMBL197087 | 2, 3, 3, 4, 4, 4-Heptafluorobutanol | FS-3824 | NSC60528 | NSC-60528 | 1H, 1H-Heptafluorobutanol-1 | O10555 | Butanol, 2, 2, 3, 3, 4, 4, 4-heptafluoro- | FT-0609061 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181024
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181024
• Sonrisas canónicas: C(C(C(C(F)(F)F)(F)F)(F)F)O
• IUPAC Name: 2,2,3,3,4,4,4-heptafluorobutan-1-ol
• InChIKey: WXJFKAZDSQLPBX-UHFFFAOYSA-N
• INCHI: 1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
• Isómeros SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)O
• WGK Alemania: 2
• RTECS: EL4130000
• Número ONU: 1987
• Grupo de embalaje: III
• Peso molecular: 200.06
• Beilstein: 1(4)1547
• Reaxy-Rn: 1761907
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761907&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Halohydrins
      • Subclass Fluorohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Halohydrins
• Subclass: Fluorohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorohydrins
• Alternative Parents: Primary alcohols Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fluorohydrin - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorohydrins. These are alcohols substituted by a fluorine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Not miscible or difficult to mix in water.
• Índice de refracción: 1.3
• Punto de inflamación (°F): 77 °F
• Punto de inflamación (°C): 25°C(lit.)
• Punto de ebullición (°C): 96-97 °C
• Peso molecular: 200.050 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 200.007 Da
• Monoisotopic Mass: 200.007 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 159.000
• 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

Referencias

1. Zhang Qingyuan, Chen Junjie, Jin Bo, Peng Rufang.  (2023)  A new linear heptafluoro glycidyl ether binder: synthesis, characterization, and mechanical properties.  MACROMOLECULAR RESEARCH,  31  (7): (699-709).  [PMID:] [10.1007/s13233-023-00162-5]

2. Chen Shen, Shi Yan, Xiaole Sun, Yanwei Tan, Yapeng Ou, Qingjie Jiao.  (2022)  Oxidizability Enhancement of Hydroxyl Terminated Polyether Polyurethane Elastomers via Fluoroalcohols Grafting.  PROPELLANTS EXPLOSIVES PYROTECHNICS,  47  (7): (e202200048).  [PMID:] [10.1002/prep.202200048]

3. Zhen Cheng, Lingling Du, Panpan Zhu, Qian Chen, Kejun Tan.  (2018)  An erythrosin B-based “turn on” fluorescent sensor for detecting perfluorooctane sulfonate and perfluorooctanoic acid in environmental water samples.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:29758514] [10.1016/j.saa.2018.05.013]