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CAS No.: | 13045-13-1 |
---|---|
Name: | 3-Chloro-5-hydroxy-2-pentanone |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C5H9ClO2 |
Molecular Weight: | 136.578 |
Synonyms: | 3-Chloro-5-hydroxy-2-pentanone;3-Chloro-4-oxo-1-pentanol |
Density: | 1.162g/cm3 |
Boiling Point: | 263.5 °C at 760 mmHg |
Flash Point: | 113.2 °C |
PSA: | 37.30000 |
LogP: | 0.56520 |
3-acetyl-3-chlorodihydrofuran-2(3H)-one
3-chloro-3-acetylpropanol
Conditions | Yield |
---|---|
With acidic ion exchanger; water | |
With hydrogenchloride In acetic acid Heating; | |
With hydrogenchloride; water; acetic acid for 18h; Reflux; |
3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one
3-chloro-3-acetylpropanol
Conditions | Yield |
---|---|
With water at 60℃; | |
With water at 60℃; |
3-chloro-3-acetylpropanol
Conditions | Yield |
---|---|
With sulfuric acid; acetic acid |
2-(2-acetoxy-ethyl)-2-chloro-acetoacetic acid ethyl ester
3-chloro-3-acetylpropanol
Conditions | Yield |
---|---|
With ethanol; sulfuric acid |
4-oxopentyl acetate
3-chloro-3-acetylpropanol
Conditions | Yield |
---|---|
With chlorine |
3-chloro-3-acetylpropanol
Conditions | Yield |
---|---|
With hydrogenchloride |
hydrogenchloride
3-acetyl-3-chlorodihydrofuran-2(3H)-one
A
3-chloro-5-(3-chloro-2-methyl-tetrahydro-furan-2-yloxy)-pentan-2-one
B
3-chloro-3-acetylpropanol
3-chloro-3-acetylpropanol
Conditions | Yield |
---|---|
With sulfuric acid; acetic acid |
ethanol
2-(2-acetoxy-ethyl)-2-chloro-acetoacetic acid ethyl ester
3-chloro-3-acetylpropanol
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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