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Cas Database |
| Name |
2,3,5,6-Tetrafluorobenzyl alcohol |
EINECS | 443-840-7 |
| CAS No. | 4084-38-2 | Density | 1.5 g/cm3 |
| PSA | 20.23000 | LogP | 1.73530 |
| Solubility | N/A | Melting Point |
32-38 °C |
| Formula | C7H4OF4 | Boiling Point | 178.204 °C at 760 mmHg |
| Molecular Weight | 180.102 | Flash Point | 61.576 °C |
| Transport Information | N/A | Appearance | white to almost white crystals |
| Safety | 37/39-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Benzylalcohol, 2,3,5,6-tetrafluoro- (7CI,8CI);(2,3,5,6-Tetrafluorophenyl)methanol; |
Article Data | 19 |
2,3,5,6-Tetrafluorobenzyl alcohol Synthetic route
- 19842-76-3
2,3,5,6-tetrafluorobenzaldehyde
- 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol
| Conditions | Yield |
|---|---|
| With acetic acid; aluminum nickel In 1,4-dioxane; water | 100% |
| With acetic acid In methanol; water | 81% |
| With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 2h; Reduction; |
- 19842-76-3
2,3,5,6-tetrafluorobenzaldehyde
- 7440-02-0
nickel
- 95-50-1
1,2-dichloro-benzene
- 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol
| Conditions | Yield |
|---|---|
| 100% |
- 5216-17-1
2,3,5,6-tetrafluorobenzonitrile
A
- 19842-76-3
2,3,5,6-tetrafluorobenzaldehyde
B
- 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol
| Conditions | Yield |
|---|---|
| With acetic acid; aluminum nickel In 1,4-dioxane; water | A 100% B n/a |
| With acetic acid; aluminum nickel In methanol; water | A 57% B n/a |
| With sulfuric acid; aluminum nickel In methanol | A n/a B 44% |
| With sulfuric acid; acetic acid; palladium/activated carbon | A n/a B 33% |
- 107900-84-5
2,3,5,6-tetrafluoro-4-(hydroxymethyl)benzoic acid
- 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol
| Conditions | Yield |
|---|---|
| With N,N-dimethyl-formamide at 95℃; for 2h; Temperature; Reagent/catalyst; | 98.82% |
- 107535-73-9
2,3,5,6-tetrafluorobenzoic acid chloride
- 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In 1,2-dimethoxyethane; water at 5 - 80℃; for 4h; Solvent; Temperature; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether for 2.66667h; Inert atmosphere; Cooling with ice; Reflux; | 91% |
- 5216-17-1
2,3,5,6-tetrafluorobenzonitrile
- 598-54-9, 142-71-2, 4180-12-5, 24381-58-6, 66760-61-0, 66760-62-1
copper (I) acetate
A
- 19842-76-3
2,3,5,6-tetrafluorobenzaldehyde
B
- 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol
| Conditions | Yield |
|---|---|
| With acetic acid; aluminum nickel In methanol; water | A 80% B n/a |
| Conditions | Yield |
|---|---|
| With zinc In ammonium hydroxide for 60h; Ambient temperature; | 72% |
| With ammonium hydroxide; zinc at 20℃; for 60h; Dehalogenation; | 72% |
| Conditions | Yield |
|---|---|
| Stage #1: 1,2,4,5-Tetrafluorobenzene With isopropylmagnesium chloride In tetrahydrofuran at 20℃; for 12h; Glovebox; Schlenk technique; Inert atmosphere; Stage #2: formaldehyd In tetrahydrofuran at 20℃; for 6h; Glovebox; Schlenk technique; Inert atmosphere; | 70% |
- 67-56-1
methanol
- 363-72-4
Pentafluorobenzene
A
- 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol
B
- 464-72-2
tetraphenylethane-1,2-diol
C
- 53072-18-7
2,3,4,5-tetrafluorobenzyl alcohol
| Conditions | Yield |
|---|---|
| With benzophenone for 24h; Ambient temperature; Irradiation; | A 44% B n/a C 8% |
2,3,5,6-Tetrafluorobenzyl alcohol Specification
The 2,3,5,6-Tetrafluorobenzyl alcohol, with the CAS registry number 4084-38-2, is also known as Benzenemethanol, 2,3,5,6-tetrafluoro-. Its EINECS number is 443-840-7. This chemical's molecular formula is C7H4OF4 and molecular weight is 180.10. What's more, its systematic name is (2,3,5,6-Tetrafluorophenyl)methanol. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is used as an intermediate of transfluthrin.
Physical properties of 2,3,5,6-Tetrafluorobenzyl alcohol are: (1)ACD/LogP: 1.272; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.27; (5)ACD/BCF (pH 5.5): 5.45; (6)ACD/BCF (pH 7.4): 5.45; (7)ACD/KOC (pH 5.5): 117.20; (8)ACD/KOC (pH 7.4): 117.20; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 32.679 cm3; (15)Molar Volume: 120.089 cm3; (16)Polarizability: 12.955×10-24cm3; (17)Surface Tension: 33.7 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 61.576 °C; (20)Enthalpy of Vaporization: 43.831 kJ/mol; (21)Boiling Point: 178.204 °C at 760 mmHg; (22)Vapour Pressure: 0.7 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,3,5,6-Tetrafluorobenzoic acid and glycol dimethyl ether below the temperature of 30 °C. This reaction will need reagents NaBH4 and dimethyl sulfate with the reaction time of 3 hours.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)c(F)cc1F)CO
(2)Std. InChI: InChI=1S/C7H4F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1,12H,2H2
(3)Std. InChIKey: AGWVQASYTKCTCC-UHFFFAOYSA-N
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