| Identification | More | [Name]
2,4-Difluorobenzyl alcohol | [CAS]
56456-47-4 | [Synonyms]
2,4-DIFLUOROBENZYL ALCOHOL
(2,4-DIFLUORO-PHENYL)-METHANOL
RARECHEM AL BD 0213
Benzenemethanol, 2,4-difluoro-
2 4-DIFLUOROBENZYL ALCOHOL 99%
2,4-Difluorobenzylalcohol98%
2,4-Difluorobenzenemethanol | [EINECS(EC#)]
260-191-3 | [Molecular Formula]
C7H6F2O | [MDL Number]
MFCD00009983 | [Molecular Weight]
144.12 | [MOL File]
56456-47-4.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLORLESS LIQUID | [Boiling point ]
52 °C | [density ]
1.29 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.487(lit.)
| [Fp ]
194 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [pka]
13.82±0.10(Predicted) | [color ]
Colorless to Light orange to Yellow | [Specific Gravity]
1.290 | [BRN ]
2501944 | [InChI]
InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 | [InChIKey]
NIJZBWHOHNWJBX-UHFFFAOYSA-N | [SMILES]
C1(CO)=CC=C(F)C=C1F | [CAS DataBase Reference]
56456-47-4(CAS DataBase Reference) | [NIST Chemistry Reference]
2,4-Difluorobenzyl alcohol(56456-47-4) |
| 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:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
29062990 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLORLESS LIQUID | [Uses]
2,4-Difluorobenzyl alcohol is used as pharmaceutical, pesticide, and liquid crystal material intermediates. | [Synthesis]
To a stirred solution of 2,4-difluorobenzaldehyde (500 mg, 3.52 mmol) in CH3OH (8 mL) was added NaBH4(266 mg, 7.04 mmol) portion wise at 0° C., and the reaction mixture was stirred at 0° C. for 1 h. After completion of the reaction (by TLC), CH3OH was removed under reduced pressure, diluted with ice-cold H2O (40 mL) and extracted with EtOAc (2.x.20 mL). The combined organic layers were washed with H2O (40 mL) and brine (40 mL), dried over anhydrous Na2SO4and concentrated under reduced pressure to obtain the crude material. Purification by silica gel column chromatography eluting with 10percent EtOAc/hexanes afforded 2,4-Difluorobenzyl alcohol (450 mg, 3.12 mmol, 88percent) as colorless liquid. 1H NMR (200 MHz, CDCl3): δ 7.45-7.33 (m, 1H), 6.83-6.75 (m, 2H), 4.72 (s, 2H), 1.79 (br s, OH).
| [References]
[1] European Journal of Medicinal Chemistry, 2016, vol. 108, p. 564 - 576
[2] Organometallics, 2015, vol. 34, # 20, p. 5175 - 5182
[3] Patent: US2012/329788, 2012, A1. Location in patent: Page/Page column 26
[4] European Journal of Inorganic Chemistry, 2015, vol. 2015, # 16, p. 2732 - 2743
[5] Dalton Transactions, 2016, vol. 45, # 45, p. 18133 - 18141 |
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