2,2-Difluoroethanol - ≥97% , CAS No.359-13-7

CAS: 359-13-7 Cat. No.: D102785 分子式: HCF₂CH₂OH 分子量: 82.05 EC番号: 670-547-3

GRADE & PURITY ≥97%

Synonyms

A6246 | BBL038231 | 2,2-Difluorethanol | 2,2-difluoroethan-1-ol | MFCD00042248 | InChI=1/C2H4F2O/c3-2(4)1-5/h2,5H,1H2 | CHF2CH2OH | DTXSID90189459 | Z397587054 | Ethanol, 2,2-difluoro- | FT-0609236 | BCP05861 | 2,2-difluoroethanol | 2,2-Difluoro-ethanol |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

A6246 | BBL038231 | 2,2-Difluorethanol | 2,2-difluoroethan-1-ol | MFCD00042248 | InChI=1/C2H4F2O/c3-2(4)1-5/h2,5H,1H2 | CHF2CH2OH | DTXSID90189459 | Z397587054 | Ethanol, 2,2-difluoro- | FT-0609236 | BCP05861 | 2,2-difluoroethanol | 2,2-Difluoro-ethanol |

仕様と純度

≥97%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488187849
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488187849
• カノニカル・スマイル: C(C(F)F)O
• IUPAC Name: 2,2-difluoroethanol
• InChIKey: VOGSDFLJZPNWHY-UHFFFAOYSA-N
• INCHI: 1S/C2H4F2O/c3-2(4)1-5/h2,5H,1H2
• 異性体SMILES: C(C(F)F)O
• UN番号: 1987
• 包装グループ: II
• 分子量: 82.05
• Reaxy-Rn: 1731617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731617&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: soluble in chloroform, ethanol.
• 屈折率: 1.3335
• 引火点（°F）: 37°F
• 引火点（°C）: 3°C
• 沸点（°C）: 95-96°C
• 融点（°C）: -28°C
• 分子量: 82.050 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 82.023 Da
• Monoisotopic Mass: 82.023 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 21.600
• 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

参考文献

1. Guangzhao Zhang, Xiaolan Deng, Jiawei Li, Jun Wang, Guoli Shi, Yu Yang, Jian Chang, Kai Yu, Shang-Sen Chi, Hui Wang, Peng Wang, Zhongbo Liu, Yuan Gao, Zijian Zheng, Yonghong Deng, Chaoyang Wang.  (2022)  A bifunctional fluorinated ether co-solvent for dendrite-free and long-term lithium metal batteries.  Nano Energy,      [PMID:] [10.1016/j.nanoen.2022.107014]

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 359-13-7, the molecular formula is C2H4F2O, and the molecular weight is 82.05 g/mol. InChIKey VOGSDFLJZPNWHY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.