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| CAS No.: | 23144-52-7 |
|---|---|
| Name: | 8-Chloro-1-octanol |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C8H17ClO |
| Molecular Weight: | 164.675 |
| Synonyms: | 1-Chlorooctan-8-ol;8-Chlorooctan-1-ol;NSC 5514; |
| EINECS: | 245-451-6 |
| Density: | 0.971 g/cm3 |
| Melting Point: | -3oC |
| Boiling Point: | 233.2 °C at 760 mmHg |
| Flash Point: | 104.9 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 20.23000 |
| LogP: | 2.55810 |
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Specification
The IUPAC name of 8-Chloro-1-octanol is 8-chlorooctan-1-ol. With the CAS registry number 23144-52-7, it is also named as 1-Octanol, 8-chloro-. The product's categories are Linear Hydrocarbon Series; Aliphatics; Alcohols; C7 to C8; Oxygen Compounds. Besides, it is clear colorless liquid, which should be stored in tightly closed container in a cool, dry place. In addition, its molecular formula is C8H17ClO and molecular weight is 164.67.
The other characteristics of this product can be summarized as: (1)EINECS: 245-451-6; (2)ACD/LogP: 2.68; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.68; (5)ACD/LogD (pH 7.4): 2.68; (6)ACD/BCF (pH 5.5): 64.42; (7)ACD/BCF (pH 7.4): 64.42; (8)ACD/KOC (pH 5.5): 686.33; (9)ACD/KOC (pH 7.4): 686.33; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 8; (13)Polar Surface Area: 9.23 Å2; (14)Index of Refraction: 1.449; (15)Molar Refractivity: 45.49 cm3; (16)Molar Volume: 169.4 cm3; (17)Polarizability: 18.03×10-24cm3; (18)Surface Tension: 32.8 dyne/cm; (19)Density: 0.971 g/cm3; (20)Flash Point: 104.9 °C; (21)Enthalpy of Vaporization: 54.62 kJ/mol; (22)Boiling Point: 233.2 °C at 760 mmHg; (23)Vapour Pressure: 0.0105 mmHg at 25 °C.
Preparation of 8-Chloro-1-octanol: this chemical can be prepared by Octane-1,8-diol.
This reaction needs aq. HCl, Heptane and Octane by heating for 20 hours. The yield is 73 %.
Uses of 8-Chloro-1-octanol: this chemical is used in antifungal activity against Aspergillus niger, Trichoderma viride, Myrothecium verrucaria, Candida albicans, Trichophyton mentagrophytes, Mucor mucedo. Additionally, it can react with Bromomethyl-benzene to get 8-Benzyloxy-1-chlorooctane.
This reaction needs NaH and Tetrahydrofuran by heating for 16 hours. The yield is 97 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable gloves and eye / face protection. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: ClCCCCCCCCO
(2)InChI: InChI=1/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
(3)InChIKey: YDFAJMDFCCJZSI-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
(5)Std. InChIKey: YDFAJMDFCCJZSI-UHFFFAOYSA-N