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CAS No.: | 425-61-6 |
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Name: | 2,2,3,3-TETRAFLUORO-1,4-BUTANEDIOL |
Molecular Structure: | |
Formula: | C4H6F4O2 |
Molecular Weight: | 162.084 |
Synonyms: | 2,2,3,3-Tetrafluoro-1,4-butanediol;2,2,3,3-Tetrafluorobutanediol;NSC 95113;Tetrafluoro-1,4-butanediol; |
EINECS: | -0 |
Density: | 1.454 g/cm3 |
Melting Point: | 77-82 °C (lit.) |
Boiling Point: | 289.9 °C at 760 mmHg |
Flash Point: | 129.1 °C |
Solubility: | Soluble in water. |
Appearance: | white crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
Transport Information: | UN 3276 |
PSA: | 40.46000 |
LogP: | 0.24160 |
Conditions | Yield |
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With sodium tetrahydroborate; sodium hydroxide In ethanol; water at 10 - 20℃; for 0.5h; pH=Ca. 9; | 86.6% |
Conditions | Yield |
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Stage #1: perfluorosuccinic difluoride With sodium tetrahydroborate In isopropyl alcohol at 5 - 80℃; for 3h; Stage #2: With sulfuric acid In isopropyl alcohol at 35℃; for 1h; | 53% |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; diethyl ether |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether Heating; |
2,2,3,3-tetrafluorobutane-1,4-diol diacetate
2,2,3,3-tetrafluorobutane-1,4-diol
Conditions | Yield |
---|---|
With sulfuric acid Product distribution / selectivity; Reflux; | 64 %Chromat. |
2,2,3,3-tetrafluorobutane-1,4-diol
trifluoromethylsulfonic anhydride
trifluoro-methanesulfonic Acid 2,2,3,3-tetrafluoro-4-(trifluoro-methanesulfonyloxy)-butyl Ester
Conditions | Yield |
---|---|
Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With pyridine In dichloromethane at 0℃; for 0.166667h; Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 20℃; for 12h; | 100% |
Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With pyridine In dichloromethane at 20℃; Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 20℃; | 95% |
Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With pyridine In dichloromethane for 0.25h; Stage #2: trifluoromethylsulfonic anhydride In dichloromethane at 20℃; for 13h; | 92% |
2,2,3,3-tetrafluorobutane-1,4-diol
p-toluenesulfonyl chloride
2,2,3,3-tetrafluorobutane-1,4-diyl bis(4-methylbenzenesulfonate)
Conditions | Yield |
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With pyridine at 55℃; for 24h; | 96% |
With pyridine at 0 - 55℃; for 24h; | 94% |
With pyridine at 0 - 55℃; for 24h; | 94% |
With pyridine at 55℃; for 24h; | 94% |
With pyridine at 0 - 55℃; for 24h; | 94% |
Conditions | Yield |
---|---|
Stage #1: 2,2,3,3-tetrafluorobutane-1,4-diol With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.5h; Stage #2: propargyl bromide In tetrahydrofuran; mineral oil at 0 - 20℃; | 94% |
2,2,3,3-tetrafluorobutane-1,4-diol
benzyl bromide
mono-O-benzyl-2,2,3,3-tetrafluorobutane-1,4-diol
Conditions | Yield |
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With potassium carbonate In acetonitrile for 16h; Inert atmosphere; Reflux; | 93% |
With potassium carbonate In acetone for 12h; Heating; | 90% |
isocyanate de chlorosulfonyle
2,2,3,3-tetrafluorobutane-1,4-diol
2,2,3,3-tetrafluorobutane-1,4-diyl dicarbamate
Conditions | Yield |
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In acetonitrile at 20℃; | 89% |
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The 1, 4-Butanediol, 2, 2, 3, 3-tetrafluoro-, with the CAS registry number of 425-61-6, is also known as 2, 2, 3, 3-Tetrafluorobutanediol. It belongs to the product categories of Organic Building Blocks; Oxygen Compounds; Polyols. This chemical's molecular formula is C4H6F4O2 and molecular weight is 162.08. What's more, its IUPAC name is 2, 2, 3, 3-Tetrafluorobutane-1, 4-diol.
Physical properties about 1, 4-Butanediol, 2, 2, 3, 3-tetrafluoro- are: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.57; (8)ACD/KOC (pH 7.4): 33.57; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.354; (14)Molar Refractivity: 24.23 cm3; (15)Molar Volume: 111.4 cm3; (16)Surface Tension: 26.5 dyne/cm; (17)Density: 1.454 g/cm3; (18)Flash Point: 129.1 °C; (19)Enthalpy of Vaporization: 61.41 kJ/mol; (20)Boiling Point: 289.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000235 mmHg at 25 °C.
Uses of 1, 4-Butanediol, 2, 2, 3, 3-tetrafluoro-: it is used to produce other chemicals. For example, it is used to produce 4-(tert-Butyl-diphenyl-silanyloxy)-2, 2, 3, 3-tetrafluoro-butan-1-ol. This reaction needs reagents TEA and DMAP. Meanwhile, it needs solvent CH2Cl2. The yield is about 55 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(CO)C(F)(F)CO
(2) InChI: InChI=1/C4H6F4O2/c5-3(6,1-9)4(7,8)2-10/h9-10H,1-2H2
(3) InChIKey: CDZXJJOGDCLNKX-UHFFFAOYAA