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1-Butanol, 4-fluoro-

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Name

1-Butanol, 4-fluoro-

EINECS N/A
CAS No. 372-93-0 Density 0.944 g/cm3
PSA 20.23000 LogP 0.72840
Solubility N/A Melting Point N/A
Formula C4H9FO Boiling Point 101.5 °C at 760 mmHg
Molecular Weight 92.1133 Flash Point 45.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 372-93-0 (4-FLUORO-1-BUTANOL) Hazard Symbols N/A
Synonyms

4-Fluoro-1-butanol;

Article Data 8

1-Butanol, 4-fluoro- Synthetic route

373-09-1

4-fluorobutyl acetate

372-93-0

1-fluoro-4-hydroxybutane

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 4h;98%
With sulfuric acid In ethanol for 13.5h; Heating;43%
326-49-8

benzoic acid-(4-fluoro-butyl ester)

372-93-0

1-fluoro-4-hydroxybutane

Conditions
ConditionsYield
With lithium aluminium tetrahydride; diethyl ether
3153-36-4

4-chloro-butyric acid ethyl ester

372-93-0

1-fluoro-4-hydroxybutane

Conditions
ConditionsYield
(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
ConditionsYield
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
ConditionsYield
With hydrogenchloride at 80℃;
<4-fluoro-butyl>-acetate

<4-fluoro-butyl>-acetate

372-93-0

1-fluoro-4-hydroxybutane

Conditions
ConditionsYield
With sulfuric acid

1-benzyloxy-4-fluorobutane

372-93-0

1-fluoro-4-hydroxybutane

Conditions
ConditionsYield
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
ConditionsYield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃;98%

2-methoxy-5-(prop-1-yn-1-yl)pyrimidine

372-93-0

1-fluoro-4-hydroxybutane

(3R,4R)-7-fluoro-3-(2-methoxypyrimidin-5-yl)hept-1-en-4-ol

Conditions
ConditionsYield
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

potassium 4-fluorobutyrate

Conditions
ConditionsYield
With ruthenium trichloride; sodium periodate In tetrachloromethane; acetonitrile at 20℃; for 24h;70%

1-Butanol, 4-fluoro- 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.

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