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CAS No.: | 5259-98-3 |
---|---|
Name: | 5-Chloropentanol |
Article Data: | 44 |
Molecular Structure: | |
Formula: | C5H11ClO |
Molecular Weight: | 122.595 |
Synonyms: | 5-Chloro-1-pentanol;5-Chloropentanol;NSC 1107;Pentamethylene chlorohydrin;w-Chloropentanol; |
EINECS: | 226-067-8 |
Density: | 1.021 g/cm3 |
Boiling Point: | 182.8 °C at 760 mmHg |
Flash Point: | 83.2 °C |
Solubility: | Slightly soluble in water. |
Appearance: | Colorless clear liquid |
Hazard Symbols: | Xi |
Risk Codes: | 22-36/38 |
Safety: | 26-36/37/39 |
PSA: | 20.23000 |
LogP: | 1.38780 |
The 5-Chloropentanol is an organic compound with the formula C5H11ClO. The IUPAC name of this chemical is 5-chloropentan-1-ol. With the CAS registry number 5259-98-3, it is also named as Pentamethylene chlorohydrin. The product's categories are API Intermediates; Omega-Chloroalkanols; Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides. Besides, it should be stored in a dark cool and dry place at room temperature.
Physical properties about 5-Chloropentanol are: (1)ACD/LogP: 1.09 ; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.96; (5)ACD/BCF (pH 7.4): 3.96; (6)ACD/KOC (pH 5.5): 93.19; (7)ACD/KOC (pH 7.4): 93.19; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 31.59 cm3; (14)Molar Volume: 119.9 cm3; (15)Polarizability: 12.52×10-24cm3; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 1.021 g/cm3; (18)Flash Point: 83.2 °C; (19)Enthalpy of Vaporization: 48.78 kJ/mol; (20)Boiling Point: 182.8 °C at 760 mmHg; (21)Vapour Pressure: 0.23 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-chloro-pentanoic acid ethyl ester. This reaction will need reagent lithium alanate and diethyl ether.
Uses of 5-Chloropentanol: it can be used to produce 6-hydroxy-hexanenitrile at temperature of 90 - 100 °C. It will need reagent KI and solvent a2-methoxy-ethanol, H2O with reaction time of 4 hours. The yield is about 62%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCCO
(2)InChI: InChI=1/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2
(3)InChIKey: DCBJCKDOZLTTDW-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2
(5)Std. InChIKey: DCBJCKDOZLTTDW-UHFFFAOYSA-N