- 4-Fluorobenzyl alcohol
- 4-Fluorobenzyl bromide
- 4-Fluorobenzyl chloride
- 4-Fluorobenzyl mercaptan
- 4-Fluorobenzylamine
- 4-Fluorobenzylboronic acid pinacol ester
- 4595-64-6Pyrimidine,5-bromo-4-butyl-
- 459-57-44-Fluorobenzaldehyde
- 459-59-6Benzenamine,4-fluoro-N-methyl-
- 459-60-94-Fluoroanisole
- 4596-38-7b-Alanine, N-(2-chloroacetyl)-
- 4596-39-8Benzoic acid,4-[(2-chloroacetyl)amino]-
- 459-64-34-Methoxybenzenediazonium tetrafluoroborate
- 45965-36-41(4H)-Pyridineaceticacid, 4-oxo-
- 4597-21-11H-BENZO[D]IMIDAZOLE-5-CARBOXALDEHYDE,1,2-DIMETHYL-
- 459-72-3Aceticacid, 2-fluoro-, ethyl ester
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Cas Database |
| Name |
4-Fluorobenzyl alcohol |
EINECS | 207-292-0 |
| CAS No. | 459-56-3 | Density | 1.173 g/cm3 |
| PSA | 20.23000 | LogP | 1.31800 |
| Solubility | Slightly soluble in water. | Melting Point |
23 °C |
| Formula | C7H7FO | Boiling Point | 202 °C at 760 mmHg |
| Molecular Weight | 126.13 | Flash Point | 94.6 °C |
| Transport Information | N/A | Appearance | colorless or slightly yellow liquid |
| Safety | 23-24/25-45-36/37/39-27-26 | Risk Codes | 14-34-36/37 |
| Molecular Structure |
|
Hazard Symbols |
 Xi, C
|
| Synonyms |
Benzylalcohol, p-fluoro- (6CI,7CI,8CI);(4-Fluorophenyl)methanol;4-Fluorobenzenemethanol;p-Fluorophenylmethanol;NSC 63347;p-Fluorobenzyl alcohol; |
Article Data | 239 |
4-Fluorobenzyl alcohol Synthetic route
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; Inert atmosphere; Cooling with ice; | 100% |
| Stage #1: 4-Fluorobenzoic acid With 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane at 20℃; for 12h; Inert atmosphere; Stage #2: With silica gel In methanol at 50℃; for 3h; | 90% |
| With cobalt(II) tetrafluoroborate hexahydrate; hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 100℃; under 60006 Torr; for 22h; | 84% |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol at 20℃; for 1h; | 100% |
| With C24H30Cl2NPRuS2; potassium tert-butylate; hydrogen In dichloromethane; toluene at 80℃; under 15001.5 Torr; for 5h; Autoclave; | 100% |
| With C55H44O2P4Ru; hydrogen In toluene at 80℃; under 38002.6 Torr; for 18h; Glovebox; Autoclave; | 99% |
| Conditions | Yield |
|---|---|
| With cerium(IV) triflate; water at 20℃; for 25h; | 100% |
| With sodium anthraquinone-2-sulfonate; oxygen In water at 30℃; Irradiation; |
| Conditions | Yield |
|---|---|
| With methanol; potassium permanganate at 25℃; chemoselective reaction; | 99% |
| With water In acetonitrile for 0.166667h; Quantum yield; Irradiation; |
| Conditions | Yield |
|---|---|
| With C23H29Cl2N2OPRuS; potassium tert-butylate; hydrogen In 2-methyltetrahydrofuran at 100℃; under 37503.8 Torr; for 16h; Catalytic behavior; Time; Autoclave; | 99% |
| With C27H35Cl2N2OPRuS; potassium tert-butylate; hydrogen In 2-methyltetrahydrofuran at 100℃; under 37503.8 Torr; for 2h; Catalytic behavior; Time; Autoclave; | 99% |
| With C27H34Cl2NO2PRuS; potassium tert-butylate; hydrogen In 2-methyltetrahydrofuran at 100℃; under 37503.8 Torr; for 16h; Catalytic behavior; Time; Autoclave; | 98% |
- 459-56-3
4-fluorobenzylic alcohol
| Conditions | Yield |
|---|---|
| With silica gel In ethyl acetate; Petroleum ether | 99% |
| With silica gel In methanol at 60℃; for 3h; Inert atmosphere; | 92% |
| In methanol at 20℃; for 1h; Inert atmosphere; Glovebox; | 92% |
- 139058-95-0
4-fluorobenzyl trifluoroacetate
A
- 459-56-3
4-fluorobenzylic alcohol
B
- 75-89-8
2,2,2-trifluoroethanol
| Conditions | Yield |
|---|---|
| With trans-[(2,6-bis(di-tert-butylphosphinomethyl)pyridine)Fe(H)2(CO)]; hydrogen; sodium methylate In 1,4-dioxane at 40℃; under 18751.9 Torr; for 16h; Glovebox; Inert atmosphere; | A n/a B 97% |
| With trimethylamine-N-oxide; tricarbonyl(η4-1,3-bis(trimethylsilyl)-4,5,6,7-tetrahydro-2H-inden-2-one)iron; hydrogen; triethylamine In toluene at 90℃; under 52505.3 Torr; for 17h; Inert atmosphere; Glovebox; |
- 459-56-3
4-fluorobenzylic alcohol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water Schlenk technique; Inert atmosphere; | 97% |
| With sodium hydroxide In water |
- 14629-55-1
(4-fluorobenzyloxy)trimethylsilane
- 459-56-3
4-fluorobenzylic alcohol
| Conditions | Yield |
|---|---|
| With 1-butyl-3-methylimidazolium chloride at 20℃; for 0.66h; | 95% |
| With 1,4-diazabicyclo[2.2.2]octane tribromide supported on magnetic Fe3O4 nanoparticles In methanol at 20℃; for 0.0833333h; | 90% |
- 42564-51-2
4-fluoro-3-nitrobenzaldehyde
- 459-56-3
4-fluorobenzylic alcohol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol | 95% |
4-Fluorobenzyl alcohol Specification
The 4-Fluorobenzyl alcohol with CAS registry number of 459-56-3 is also known as Benzenemethanol,4-fluoro-. The IUPAC name is (4-Flluorophenyl)methanol. It belongs to product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohol; Fluorobenzene; Alcohols; Fluorine Compounds; C7 to C8;Oxygen Compounds. Its EINECS registry number is 207-292-0. In addition, the formula is C7H7FO and the molecular weight is 126.13. This chemical is a colorless or slightly yellow liquid that may cause inflammation to the skin or other mucous membranes and may destroy living tissue on contact. What's more, this chemical is used as intermediate in organic synthesis and should be sealed in ventilated, dry place away from oxidants.
Physical properties about 4-Fluorobenzyl alcohol are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.94; (6)ACD/BCF (pH 7.4): 3.94; (7)ACD/KOC (pH 5.5): 92.88; (8)ACD/KOC (pH 7.4): 92.88; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 32.69 cm3; (14)Molar Volume: 107.4 cm3; (15)Surface Tension: 38.6 dyne/cm; (16)Density: 1.173 g/cm3; (17)Flash Point: 94.6 °C; (18)Enthalpy of Vaporization: 46.33 kJ/mol; (19)Boiling Point: 202 °C at 760 mmHg; (20)Vapour Pressure: 0.183 mmHg at 25 °C.
Preparation of 4-Fluorobenzyl alcohol: it is prepared by reaction of 4-fluoro-benzaldehyde. The reaction needs reagent sulfurated borohydride exchange resin and solvent methanol at the temperature of 25 °C for 5 minutes. The yield is about 93 %.
Uses of 4-Fluorobenzyl alcohol: it is used to produce 4-(4-fluorobenzyloxy)-2-phenylquinazoline by reaction with 4-chloro-2-phenyl-quinazoline. The reaction occurs with reagent NaH and other condition of heating. The yield is about 96 %.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes and respiratory system. Besides, it reacts violently with water and also causes burns. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe gas/fumes/vapour/spray and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately. After using it, take off immediately all contaminated clothing.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1CO)F
2. InChI: InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
3. InChIKey: GEZMEIHVFSWOCA-UHFFFAOYSA-N
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