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8-Chloro-1-octanol

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Name

8-Chloro-1-octanol

EINECS 245-451-6
CAS No. 23144-52-7 Density 0.971 g/cm3
PSA 20.23000 LogP 2.55810
Solubility N/A Melting Point -3oC
Formula C8H17ClO Boiling Point 233.2 °C at 760 mmHg
Molecular Weight 164.675 Flash Point 104.9 °C
Transport Information N/A Appearance clear colorless liquid
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 23144-52-7 (8-Chloro-1-octanol) Hazard Symbols IrritantXi
Synonyms

1-Chlorooctan-8-ol;8-Chlorooctan-1-ol;NSC 5514;

Article Data 10

8-Chloro-1-octanol 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 

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