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Name 2,3,5,6-Tetrafluorobenzyl alcohol
EINECS443-840-7
CAS No. 4084-38-2
Density1.5 g/cm³
PSA20.23000
LogP1.73530
SolubilityN/A
Melting Point32-38 °C
FormulaC₇H₄OF₄
Boiling Point178.204 °C at 760 mmHg
Molecular Weight180.102
Flash Point61.576 °C
Transport InformationN/A
Appearancewhite to almost white crystals
Safety37/39-26
Risk Codes36/37/38
Molecular Structure
Hazard SymbolsXi
SynonymsXi
Article Data19

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

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

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

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

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

Conditions	Yield
With sodium tetrahydroborate In 1,2-dimethoxyethane; water at 5 - 80℃; for 4h; Solvent; Temperature; Inert atmosphere;	98%

: 602-94-8
Pentafluorobenzoic acid

: 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol

Conditions

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

Conditions	Yield
With acetic acid; aluminum nickel In methanol; water	A 80% B n/a

: 440-60-8
(2,3,4,5,6-pentafluorophenyl)methanol

: 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol

Conditions

Conditions	Yield
With zinc In ammonium hydroxide for 60h; Ambient temperature;	72%
With ammonium hydroxide; zinc at 20℃; for 60h; Dehalogenation;	72%

: 50-00-0
formaldehyd

: 327-54-8
1,2,4,5-Tetrafluorobenzene

: 4084-38-2
(2,3,5,6-tetrafluorophenyl)methanol

Conditions

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

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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2,3,5,6-Tetrafluorobenzyl alcohol

2,3,5,6-Tetrafluorobenzyl alcohol Synthetic route

2,3,5,6-Tetrafluorobenzyl alcohol Specification

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