| Identification | More | [Name]
2,3,4,5,6-Pentafluorobenzyl alcohol | [CAS]
440-60-8 | [Synonyms]
2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
(2,3,4,5,6-PENTAFLUOROPHENYL)METHANOL
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
Benzenemethanol, 2,3,4,5,6-pentafluoro-
Benzyl alcohol, 2,3,4,5,6-pentafluoro-
2,3,4,5,6-pentafluorobenzylic alcohol
pentaflurobenzenenitrile
2,3,4,5,6-Pentafluorobenzyl alcohol, 96-98%
Pentafluorobenzylalcohol,98%
Pentafluorobenzyl alcohol 98% | [EINECS(EC#)]
207-126-7 | [Molecular Formula]
C7H3F5O | [MDL Number]
MFCD00004602 | [Molecular Weight]
198.09 | [MOL File]
440-60-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white crystalline mass | [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 Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P264-P270-P301+P312a-P330-P501a | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust . | [WGK Germany ]
3
| [RTECS ]
DP0695000
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29062900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [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]
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 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)MS
2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)1HNMR
2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)IR1
2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)Raman
|
| Well-known Reagent Company Product Information | Back Directory | [Acros Organics]
2,3,4,5,6-Pentafluorobenzyl alcohol, 96-98%(440-60-8) | [Alfa Aesar]
2,3,4,5,6-Pentafluorobenzyl alcohol, 98%(440-60-8) | [TCI AMERICA]
Pentafluorobenzyl Alcohol,>96.0%(GC)(440-60-8) |
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