2,2-Difluoropropane-1,3-diol - ≥98% , CAS No.428-63-7

CAS: 428-63-7 Cat. No.: D184503 Summenformel: C₃H₆F₂O₂ Molekulargewicht: 112.1 EG-Nummer: 807-402-2

GRADE & PURITY ≥98%

Synonyms

C3H6F2O2 | MFCD16619633 | NSC32744 | NSC-32744 | DTXSID20195487 | A900814 | EN300-153017 | AMY7075 | AS-48669 | SCHEMBL711852 | F52367 | 1,3-Propanediol, 2,2-difluoro- | AKOS007930412 | NSC 32744 | SY026989 | 2,2-DIFLUORO-1,3-PROPANEDIOL | F8887-5540 | BB

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

C3H6F2O2 | MFCD16619633 | NSC32744 | NSC-32744 | DTXSID20195487 | A900814 | EN300-153017 | AMY7075 | AS-48669 | SCHEMBL711852 | F52367 | 1,3-Propanediol, 2,2-difluoro- | AKOS007930412 | NSC 32744 | SY026989 | 2,2-DIFLUORO-1,3-PROPANEDIOL | F8887-5540 | BB

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488186938

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186938

Kanonisches Lächeln

C(C(CO)(F)F)O

IUPAC Name

2,2-difluoropropane-1,3-diol

InChIKey

AMCKYDINHDOOCB-UHFFFAOYSA-N

INCHI

1S/C3H6F2O2/c4-3(5,1-6)2-7/h6-7H,1-2H2

Isomere SMILES

C(C(CO)(F)F)O

Molekulargewicht

112.1

Reaxy-Rn

1734756

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734756&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 250.9±35.0 °C at 760 mmHg
• Schmelzpunkt (°C): 52 °C
• Molekulargewicht: 112.080 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 112.034 Da
• Monoisotopic Mass: 112.034 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.900
• 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