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| CAS No.: | 372-93-0 |
|---|---|
| Name: | 4-FLUORO-1-BUTANOL |
| Molecular Structure: | |
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| Formula: | C4H9FO |
| Molecular Weight: | 92.1133 |
| Synonyms: | 4-Fluoro-1-butanol; |
| Density: | 0.944 g/cm3 |
| Boiling Point: | 101.5 °C at 760 mmHg |
| Flash Point: | 45.4 °C |
| PSA: | 20.23000 |
| LogP: | 0.72840 |
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| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 4h; | 98% |
| With sulfuric acid In ethanol for 13.5h; Heating; | 43% |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride; diethyl ether |
| Conditions | Yield |
|---|---|
| (i) NaI, acetone, (ii) KF, ethane-1,2-diol, (iii) LiAlH4, Et2O; Multistep reaction; |
- 110-63-4
Butane-1,4-diol
A
- 109-99-9
tetrahydrofuran
B
- 5732-45-6
cyclic sulfite of 1,4-butanediol
C
- 372-93-0
1-fluoro-4-hydroxybutane
| Conditions | Yield |
|---|---|
| With sulfur tetrafluoride In diethyl ether at 20℃; for 45h; stainless-steel autoclave; Yield given; | |
| With sulfur tetrafluoride In diethyl ether at 25℃; for 12h; stainless-steel autoclave; Yield given; | |
| With sulfur tetrafluoride at 20℃; for 45h; Product distribution; solvent; other reaction time; other temperature.; | A 60 % Chromat. B 10 % Chromat. C 30 % Chromat. |
| With sulfur tetrafluoride at 20℃; for 45h; stainless-steel autoclave; Yield given; |
- 124536-08-9
C4H8FO4S(1-)*Na(1+)
- 372-93-0
1-fluoro-4-hydroxybutane
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 80℃; |
- 372-93-0
1-fluoro-4-hydroxybutane
| Conditions | Yield |
|---|---|
| With sulfuric acid |
- 372-93-0
1-fluoro-4-hydroxybutane
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In dichloromethane at 20℃; for 1.5h; Inert atmosphere; |
- 286946-77-8
5-bromo-2-chloro-3-hydroxypyridine
- 372-93-0
1-fluoro-4-hydroxybutane
- 1202796-36-8
5-bromo-2-chloro-3-(4-fluorobutoxy)pyridine
| Conditions | Yield |
|---|---|
| With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃; | 98% |
- 372-93-0
1-fluoro-4-hydroxybutane
| Conditions | Yield |
|---|---|
| With carbonyl bis(hydrido)tris(triphenylphosphine)ruthenium(II); (R)-1-[(SP)-2-(dicyclohexylphosphino)ferrocenyl]ethyldi-tert-butylphosphine; p-nitrobenzenesulfonic acid; tetra-(n-butyl)ammonium iodide In 1,2-dimethoxyethane at 80℃; for 48h; Inert atmosphere; Sealed tube; stereoselective reaction; | 73% |
- 372-93-0
1-fluoro-4-hydroxybutane
| Conditions | Yield |
|---|---|
| With ruthenium trichloride; sodium periodate In tetrachloromethane; acetonitrile at 20℃; for 24h; | 70% |
- Total:32 Page 1 of 1 1
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Specification
The 1-Butanol, 4-fluoro-, with CAS registry number 372-93-0, has the systematic name of 4-fluorobutan-1-ol. Besides this, it is also called omega-Fluorobutanol. And the chemical formula of this chemical is C4H9FO.
Physical properties of 1-Butanol, 4-fluoro-: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.39; (8)ACD/KOC (pH 7.4): 29.39; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.374; (14)Molar Refractivity: 22.27 cm3; (15)Molar Volume: 97.5 cm3; (16)Polarizability: 8.83×10-24cm3; (17)Surface Tension: 24.7 dyne/cm; (18)Density: 0.944 g/cm3; (19)Flash Point: 45.4 °C; (20)Enthalpy of Vaporization: 39.72 kJ/mol; (21)Boiling Point: 101.5 °C at 760 mmHg; (22)Vapour Pressure: 19.7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FCCCCO
(2)InChI: InChI=1/C4H9FO/c5-3-1-2-4-6/h6H,1-4H2
(3)InChIKey: SHOBGSRUFRALBO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C4H9FO/c5-3-1-2-4-6/h6H,1-4H2
(5)Std. InChIKey: SHOBGSRUFRALBO-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 900ug/kg (0.9mg/kg) | Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956. | |
| mouse | LD50 | subcutaneous | 900ug/kg (0.9mg/kg) | Nature. Vol. 172, Pg. 1139, 1953. |