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2,2,3,3,3-Pentafluoro-1-propanol - for GC derivatization, ≥99.0% (GC), high purity , CAS No.422-05-9
Basic Description
Synonyms
J-506765 | Pentafluoro-1-propanol | NSC 66413 | SCHEMBL20828 | 1,1-Dihydroperfluoropropanol | EN300-21115 | FD2073 | 1H,1H-perfluoropropanol | PSQZJKGXDGNDFP-UHFFFAOYSA- | SY018658 | Q27277290 | EPJ1S961SN | 1H,1H-Pentafluoro-1-propanol | AKOS000121412 |
Specifications & Purity
for GC derivatization, ≥99%(GC)
Shipped In
Normal
Grade
for GC derivatization
Product Description
Generates fluorinated alpha-keto ethers with alkenes and has wide applications in the expanding fluorous research area Preparation of trifluoromethyl ynamines which, in turn, converted aldehydes to α-trifluoromethyl-α,β-uns?aturated amides.
Taxonomic Classification
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504751877
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751877
IUPAC Name
2,2,3,3,3-pentafluoropropan-1-ol
INCHI
InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
InChIKey
PSQZJKGXDGNDFP-UHFFFAOYSA-N
Smiles
C(C(C(F)(F)F)(F)F)O
Isomeric SMILES
C(C(C(F)(F)F)(F)F)O
WGK Germany
3
Molecular Weight
150.05
Beilstein
1743133
Reaxy-Rn
1743133
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743133&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.288
Boil Point(°C)
80°C/748mmHg
Molecular Weight
150.050 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
150.01 Da
Monoisotopic Mass
150.01 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
94.900
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
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J1527054