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| CAS No.: | 872-17-3 |
|---|---|
| Name: | 11-CHLORO-1-UNDECENE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C11H21Cl |
| Molecular Weight: | 188.741 |
| Synonyms: | 1-Chloro-10-undecene;10-Undecenyl chloride;11-Chloro-1-undecene;w-Chloroundecene; |
| Density: | 0.871 g/cm3 |
| Boiling Point: | 236.1 °C at 760 mmHg |
| Flash Point: | 95.2 °C |
| Solubility: | Soluble in water. |
| Appearance: | clear colorless liquid |
| Hazard Symbols: | Xn,Xi |
| Risk Codes: | 36/37/38-22 |
| Safety: | 37/39-26 |
| PSA: | 0.00000 |
| LogP: | 4.53200 |
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Specification
This chemical is called 1-Undecene, 11-chloro-, and its systematic name is 11-chloroundec-1-ene. With the molecular formula of C11H21Cl, its molecular weight is . The CAS registry number of this chemical is 188.74. Additionally, its product categories are Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks.
Other characteristics of the 1-Undecene, 11-chloro- can be summarised as followings: (1)ACD/LogP: 5.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.77; (4)ACD/LogD (pH 7.4): 5.77; (5)ACD/BCF (pH 5.5): 14362.32; (6)ACD/BCF (pH 7.4): 14362.32; (7)ACD/KOC (pH 5.5): 32910.1; (8)ACD/KOC (pH 7.4): 32910.1; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 57.58 cm3; (14)Molar Volume: 216.5 cm3; (15)Polarizability: 22.82×10-24cm3; (16)Surface Tension: 27.7 dyne/cm; (17)Density: 0.871 g/cm3; (18)Flash Point: 95.2 °C; (19)Enthalpy of Vaporization: 45.37 kJ/mol; (20)Boiling Point: 236.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0739 mmHg at 25°C.
Production method of this chemical: The 1-Undecene, 11-chloro- could be obtained by the reactant of undec-10-en-1-ol. This reaction needs the reagent of SOCl2, pyridine. The yield is 94 %. In addition, this reaction should be taken for 5 hours at the temperature of 65 °C.
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Uses of this chemical: The 11-iodo-undec-1-ene could be obtained by the reactant of 1-Undecene, 11-chloro-. This reaction needs the reagent of sodium iodide, and the solvent of acetone. The yield is 100 %. This reaction should be taken for 12 hours. The other condition is heating.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. It's harmful if swallowed. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: ClCCCCCCCCC\C=C
2.InChI: InChI=1/C11H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
3.InChIKey: PSEVKFKRYVAODC-UHFFFAOYAL