2,3,4,5,6-Pentafluorobenzyl alcohol CAS 440-60-8
Introduction：Basic information about 2,3,4,5,6-Pentafluorobenzyl alcohol CAS 440-60-8, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,3,4,5,6-Pentafluorobenzyl alcohol Basic information
| Product Name: | 2,3,4,5,6-Pentafluorobenzyl alcohol |
| Synonyms: | PENTAFLUOROBENZYL ALCOHOL;PENTAFLUOROPHENYLMETHANOL;RARECHEM AL BD 0017;(Hydroxymethyl)pentafluorobenzene;2,3,4,5,6-pentafluoro-benzenemethano;2,3,4,5,6-pentafluorobenzenemethanol;2,3,4,5,6-pentafluoro-benzylalcoho;(2,3,4,5,6-PENTAFLUOROPHENYL)METHANOL |
| CAS: | 440-60-8 |
| MF: | C7H3F5O |
| MW: | 198.09 |
| EINECS: | 207-126-7 |
| Product Categories: | Benzhydrols, Benzyl & Special Alcohols;Alcohols;C7 to C8;Oxygen Compounds |
| Mol File: | 440-60-8.mol |
2,3,4,5,6-Pentafluorobenzyl alcohol Chemical Properties
| Melting point | 37-38 °C(lit.) |
| Boiling point | 114-115 °C60 mm Hg(lit.) |
| density | 1.4485 (estimate) |
| Fp | 190 °F |
| storage temp. | Sealed in dry,2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 13.07±0.10(Predicted) |
| color | White |
| BRN | 2052669 |
| InChI | InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2 |
| InChIKey | PGJYYCIOYBZTPU-UHFFFAOYSA-N |
| SMILES | C1(CO)=C(F)C(F)=C(F)C(F)=C1F |
| CAS DataBase Reference | 440-60-8(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 36-36/37/39-26-22-24/25 |
| WGK Germany | 3 |
| RTECS | DP0695000 |
| HazardClass | IRRITANT |
| HS Code | 29062900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
| Chemical Properties | white crystalline mass |
| Uses | 2,3,4,5,6-Pentafluorobenzyl alcohol was used in the synthesis of pentafluorobenzyloxy substituted metal-free phthalocyanine. |
| Definition | ChEBI: An organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6. |
| General Description | Structures of complex of horse liver alchohol dehydrogenase enzyme with 2,3,4,5,6-pentafluorobenzyl alcohol has been investigated by X-ray crystallography. |
| Synthesis | 653-37-2 440-60-8 General procedure for the synthesis of pentafluorobenzyl alcohol from pentafluorobenzaldehyde: A mixture of pentafluorobenzaldehyde (1.5 mmol), catalyst (0.01 mmol), and isopropanol (18.5 mL) was stirred for 10 minutes at 82 °C. Subsequently, 1.5 mL of 0.1 M KOH (0.15 mmol) solution was added to the mixture. The reaction mixture was stirred continuously at reflux temperature. During the reaction, aliquots were periodically removed from the reaction vessel and the reaction progress was monitored by gas chromatography (GC) and hydrogen nuclear magnetic resonance (1H NMR). The yield of the final product was the average of two independent experiments. |
| References | [1] Journal of Organometallic Chemistry, 2016, vol. 807, p. 36 - 44 [2] Dalton Transactions, 2015, vol. 44, # 41, p. 18237 - 18246 [3] Journal of the American Chemical Society, 2014, vol. 136, # 45, p. 15813 - 15816 [4] Steroids, 2011, vol. 76, # 10-11, p. 1136 - 1140 [5] Journal of the Chemical Society, 1961, p. 808 - 817 |
2,3,4,5,6-Pentafluorobenzyl alcohol Preparation Products And Raw materials
| Raw materials | Pentafluorobenzoic acid-->Pentafluorobenzaldehyde-->2 3 4 5 6-PENTAFLUOROBENZOIC ANHYDRIDE |
| Preparation Products | 2,3,4,5,6-PENTAFLUOROPHENYLACETONITRILE-->Pentafluorobenzyl chloride-->2,3,4,5-Tetrafluorobenzyl alcohol |
