2,2-Difluoro-1-propanol - ≥95% , CAS No.33420-52-9

CAS: 33420-52-9 Cat. No.: D169652 Formula: C₃H₆F₂O Molecular Weight: 96.08 EC Number: 674-867-4

GRADE & PURITY ≥95%

Synonyms

2 pound not2-Difluoro-propan-1-ol|2,2-Difluoro-1-propanol|2,2-difluoro-propan-1-ol|2,2-Difluoropropan-1-ol|1-Propanol, 2,2-difluoro-|2,2-Difluoropropanol

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

2 pound not2-Difluoro-propan-1-ol | 2,2-Difluoro-1-propanol | 2,2-difluoro-propan-1-ol | 2,2-Difluoropropan-1-ol | 1-Propanol, 2,2-difluoro- | 2,2-Difluoropropanol

Specifications & Purity

≥95%

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

504767394

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767394

Canonical Smiles

CC(CO)(F)F

IUPAC Name

2,2-difluoropropan-1-ol

InChIKey

CKLONJANQGBREW-UHFFFAOYSA-N

INCHI

1S/C3H6F2O/c1-3(4,5)2-6/h6H,2H2,1H3

Isomeric SMILES

CC(CO)(F)F

WGK Germany

3

Molecular Weight

96.08

Reaxy-Rn

4949063

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4949063&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Refractive Index: 1.349
• Flash Point(°F): 87.8 °F
• Flash Point(°C): 31 °C
• Molecular Weight: 96.080 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 96.0387 Da
• Monoisotopic Mass: 96.0387 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.100
• 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