2,2,3,3,3-Pentafluoro-1-propanol - CAS 422-05-9

Name: 2,2,3,3,3-Pentafluoro-1-propanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025076
Product Name:	2,2,3,3,3-Pentafluoro-1-propanol
CAS:	422-05-9
Synonyms:	2,2,3,3,3-pentafluoropropan-1-ol

Technical Data

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Literatures

Computed Properties

IUPAC Name:	2,2,3,3,3-pentafluoropropan-1-ol
Description:	2,2,3,3,3-Pentafluoro-1-propanol (CAS# 422-05-9) is a useful reagent for the preparation of (oxoindolinyl)ethers/benzoates via photochemical O-H functionalization reactions of cyclic diazoamides.
Molecular Weight:	150.05
Molecular Formula:	C3H3F5O
Canonical SMILES:	C(C(C(F)(F)F)(F)F)O
InChI:	InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
InChI Key:	PSQZJKGXDGNDFP-UHFFFAOYSA-N
Boiling Point:	81 °C
Purity:	95 %
Density:	1.505 g/cm³
Appearance:	Clear colorless liquid.
Storage:	Flammables area
MDL:	MFCD00004673
LogP:	1.17630

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Related Functional Groups

Alcohols and Derivatives

[58287-18-6]C8H9NO3
(1R)-1-(4-Nitrophenyl)ethanol
[108100-06-7]C9H12O2
(S)-1-(2-Methoxyphenyl)ethanol
[62972-93-4]C18H36O
(Z)-11-Octadecen-1-ol
[112256-09-4]C8H12O
1-Cyclopentyl-2-propyn-1-ol
[4780-79-4]C11H10O
1-Naphthalenemethanol
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[351-28-0]C8H8FNO
3'-Fluoroacetanilide

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]C6H3F3
1,2,3-Trifluorobenzene

Oxygen Compounds

[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[2960-93-2]C22H18O2
2,2'-Dimethoxy-1,1'-binaphthalene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[88-60-8]C11H16O
2-tert-Butyl-5-methylphenol

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PMID	Publication Date	Title	Journal
22268487	20120621	Laboratory studies of CHF2CF2CH2OH and CF3CF2CH2OH: UV and IR absorption cross sections and OH rate coefficients between 263 and 358 K	The journal of physical chemistry. A
21802874	20111010	A comparative study on the concentrations of 11-nor-Δ9-tetrahydrocannabinol-9-carboxylic acid (THCCOOH) in head and pubic hair	Forensic science international
21497038	20110715	Simultaneous analysis of Δ(9)-tetrahydrocannabinol and 11-nor-9-carboxy-tetrahydrocannabinol in hair without different sample preparation and derivatization by gas chromatography-tandem mass spectrometry	Journal of pharmaceutical and biomedical analysis
21497466	20110715	A study on the concentrations of 11-nor-Δ(9)-tetrahydrocannabinol-9-carboxylic acid (THCCOOH) in hair root and whole hair	Forensic science international
18280783	20081115	Solvent dependence of conformational stability and analysis of vibrational spectra of 2,2,3,3,3-pentafluoro-1-propanol	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	94.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.01040553
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.01040553
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2