| Identification | More | [Name]
2,4,5-Trifluorobenzyl alcohol | [CAS]
144284-25-3 | [Synonyms]
2,4,5-TRIFLUOROBENZYL ALCOHOL
(2,4,5-TRIFLUORO-PHENYL)-METHANOL
RARECHEM AL BD 0314
2,4,5-Trifluorobenzyl alcohol 97%
2,4,5-Trifluorobenzylalcohol97%
2,4,5-Trifluorobenzyl alcohole | [EINECS(EC#)]
642-585-0 | [Molecular Formula]
C7H5F3O | [MDL Number]
MFCD00061206 | [Molecular Weight]
162.11 | [MOL File]
144284-25-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
24 °C | [Boiling point ]
201-204 °C (lit.) | [density ]
1.4 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.472(lit.)
| [Fp ]
230 °F
| [storage temp. ]
2-8°C | [form ]
liquid | [pka]
13.17±0.10(Predicted) | [color ]
Clear colourless | [InChI]
1S/C7H5F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-2,11H,3H2 | [InChIKey]
NRXZCCOHXZFHBV-UHFFFAOYSA-N | [SMILES]
OCc1cc(F)c(F)cc1F | [CAS DataBase Reference]
144284-25-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29062990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Uses]
2,4,5-Trifluorobenzyl alcohol is an aryl fluorinated building block. It is also referred to as (2,4,5-trifluorophenyl)methanol [IUPAC name]. | [General Description]
2,4,5-Trifluorobenzyl alcohol is an aryl fluorinated building block. It is also referred to as (2,4,5-trifluorophenyl)methanol [IUPAC name]. | [Synthesis]
GENERAL METHOD: Sodium borohydride (0.28 g, 7.5 mmol) was added to a methanol (10 mL) solution of 2,4,5-trifluorobenzaldehyde (5 mmol) cooled in an ice bath in batches over a period of 20 minutes. The reaction mixture was stirred at room temperature for 30 min. The excess sodium borohydride was quenched by adding ice water. Subsequently, the reaction mixture was concentrated and the residue was dissolved in ethyl acetate and washed twice with deionized water. The organic phase was dried with anhydrous sodium sulfate and concentrated to give 2,4,5-trifluorobenzyl alcohol in 96% yield as a colorless oil. The spectral data of the resulting compound were in agreement with standard samples from commercial sources. | [References]
[1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 2, p. 721 - 737
[2] Organic and Biomolecular Chemistry, 2014, vol. 12, # 30, p. 5781 - 5788 |
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