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| CAS No.: | 2425-54-9 |
|---|---|
| Name: | 1-Chlorotetradecane |
| Molecular Structure: | |
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| Formula: | C14H29Cl |
| Molecular Weight: | 232.837 |
| Synonyms: | 1-Chlorotetradecane;Myristyl chloride;Tetradecyl chloride; |
| EINECS: | 219-368-0 |
| Density: | 0.859 g/cm3 |
| Melting Point: | -3 °C |
| Boiling Point: | 292.9 °C at 760 mmHg |
| Flash Point: | 130 °C |
| Solubility: | < 0.01 g/L (20 ºC) in water |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36-26 |
| Transport Information: | UN 3082 |
| PSA: | 0.00000 |
| LogP: | 5.92630 |
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Specification
The 1-Chlorotetradecane, with the CAS registry number 2425-54-9, is also known as Tetradecane, 1-chloro-. It belongs to the product categories of Alkyl Chlorides; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes. Its EINECS registry number is 219-368-0. This chemical's molecular formula is C14H29Cl and molecular weight is 232.83. Its IUPAC name and systematic name are the same which is called 1-chlorotetradecane. This chemical which can be used as a chemical intermediate is clear colorless liquid.
Physical properties of 1-Chlorotetradecane: (1)ACD/LogP: 7.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.88; (4)ACD/LogD (pH 7.4): 7.88; (5)ACD/BCF (pH 5.5): 570575.75; (6)ACD/BCF (pH 7.4): 570575.75; (7)ACD/KOC (pH 5.5): 459134.69; (8)ACD/KOC (pH 7.4): 459134.69; (9)#Freely Rotating Bonds: 12; (10)Index of Refraction: 1.442; (11)Molar Refractivity: 71.75 cm3; (12)Molar Volume: 271 cm3; (13)Surface Tension: 28.7 dyne/cm; (14)Density: 0.859 g/cm3; (15)Melting Point: -3 °C; (16)Flash Point: 122.5 °C; (17)Enthalpy of Vaporization: 51.11 kJ/mol; (18)Boiling Point: 292.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00313 mmHg at 25°C.
Preparation: this chemical can be prepared by tetradecan-1-ol. This reaction will need reagent tosylchloride, 4-dimethylaminopyridine and solvent CH2Cl2. The reaction time is 96 hours with reaction temperature of 25 ℃. The yield is about 95%.
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Uses of 1-Chlorotetradecane: it can be used to produce 1-tetradecyl-pyridinium; chloride at temperature of 120 °C. The yield is about 30%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In addition, you must avoid contacting with skin and eyes. Whenever you will contact it, please wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCl
(2)InChI: InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
(3)InChIKey: RNHWYOLIEJIAMV-UHFFFAOYSA-N