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3-Chloro-4-oxo-1-pentanol
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Name

3-Chloro-4-oxo-1-pentanol

 EINECS N/A
CAS No. 13045-13-1 Density 1.162g/cm3
PSA 37.30000 LogP 0.56520
Solubility N/A Melting Point N/A
Formula C5H9ClO2 Boiling Point 263.5 °C at 760 mmHg
Molecular Weight 136.578 Flash Point 113.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 13045-13-1 (3-Chloro-5-hydroxy-2-pentanone) Hazard Symbols N/A
Synonyms

3-Chloro-5-hydroxy-2-pentanone;3-Chloro-4-oxo-1-pentanol

Article Data 20

3-Chloro-4-oxo-1-pentanol Synthetic route

2986-00-7

3-acetyl-3-chlorodihydrofuran-2(3H)-one

13045-13-1

3-chloro-3-acetylpropanol

Conditions
ConditionsYield
With acidic ion exchanger; water
With hydrogenchloride In acetic acid Heating;
With hydrogenchloride; water; acetic acid for 18h; Reflux;
13045-14-2

3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one

13045-13-1

3-chloro-3-acetylpropanol

Conditions
ConditionsYield
With water at 60℃;
With water at 60℃;

2-chloro-2-(2-hydroxy-ethyl)-acetoacetic acid ethyl ester

13045-13-1

3-chloro-3-acetylpropanol

Conditions
ConditionsYield
With sulfuric acid; acetic acid
857619-39-7

2-(2-acetoxy-ethyl)-2-chloro-acetoacetic acid ethyl ester

13045-13-1

3-chloro-3-acetylpropanol

Conditions
ConditionsYield
With ethanol; sulfuric acid
5185-97-7

4-oxopentyl acetate

13045-13-1

3-chloro-3-acetylpropanol

Conditions
ConditionsYield
With chlorine

4-acetoxy-4-chloro-dihydro-furan-2-one

13045-13-1

3-chloro-3-acetylpropanol

Conditions
ConditionsYield
With hydrogenchloride
13045-15-3

2,3-dichloro-2-methyl-tetrahydro-furan

7732-18-5

water

13045-13-1

3-chloro-3-acetylpropanol

7647-01-0

hydrogenchloride

2986-00-7

3-acetyl-3-chlorodihydrofuran-2(3H)-one

A

13045-14-2

3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one

B

13045-13-1

3-chloro-3-acetylpropanol

2-chloro-2-<2-bromo-ethyl>-acetoacetic acid ethyl ester

2-chloro-2-<2-bromo-ethyl>-acetoacetic acid ethyl ester

13045-13-1

3-chloro-3-acetylpropanol

Conditions
ConditionsYield
With sulfuric acid; acetic acid
64-17-5

ethanol

857619-39-7

2-(2-acetoxy-ethyl)-2-chloro-acetoacetic acid ethyl ester

35 percent H2SO4

35 percent H2SO4

13045-13-1

3-chloro-3-acetylpropanol

3-Chloro-4-oxo-1-pentanol Specification

The 3-Chloro-5-hydroxy-2-pentanone, with CAS registry number 13045-13-1, has the systematic name of 3-chloro-5-hydroxypentan-2-one. Besides this, it is also called 3-Chloro-5-hydroxy-2-pentanone. And the chemical formula of this chemical is C5H9ClO2.

Physical properties of 3-Chloro-5-hydroxy-2-pentanone: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.3; (4)ACD/LogD (pH 7.4): 0.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 34.89; (8)ACD/KOC (pH 7.4): 34.89; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 31.58 cm3; (15)Molar Volume: 117.4 cm3; (16)Polarizability: 12.52×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 113.2 °C; (20)Enthalpy of Vaporization: 58.22 kJ/mol; (21)Boiling Point: 263.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00144 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)C(Cl)CCO
(2)InChI: InChI=1/C5H9ClO2/c1-4(8)5(6)2-3-7/h5,7H,2-3H2,1H3
(3)InChIKey: FYWDUQCSMYWUHV-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C5H9ClO2/c1-4(8)5(6)2-3-7/h5,7H,2-3H2,1H3
(5)Std. InChIKey: FYWDUQCSMYWUHV-UHFFFAOYSA-N

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