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| CAS No.: | 17746-05-3 |
|---|---|
| Name: | Undecanoyl chloride |
| Molecular Structure: | |
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|
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| Formula: | C11H21ClO |
| Molecular Weight: | 204.74 |
| Synonyms: | NSC 83585;Undecanoic acid chloride;n-Undecanoyl chloride; |
| EINECS: | 241-741-1 |
| Density: | 0.937 g/cm3 |
| Boiling Point: | 250.269 °C at 760 mmHg |
| Flash Point: | 112.385 °C |
| Appearance: | COA |
| Hazard Symbols: |
 C
|
| Risk Codes: | 14-34 |
| Safety: | 26-27-36/37/39-45 |
| Transport Information: | UN 3265 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 4.28260 |
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Specification
The IUPAC name of Undecanoyl chloride is undecanoyl chloride. With the CAS registry number 17746-05-3, it is also named as n-Undecanoyl chloride. The product's categories are acid halidesfatty acids, carbonyl compounds, halogen acids, organic building blocks and saturated fatty acids and derivatives. And it should be stored at -20 °C. In addition, its molecular formula is C11H21ClO and molecular weight is 204.74.
The other characteristics of this product can be summarized as: (1)EINECS: 241-741-1; (2)ACD/LogP: 5.24; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 5.24; (5)ACD/LogD (pH 7.4): 5.24; (6)ACD/BCF (pH 5.5): 5648.51; (7)ACD/BCF (pH 7.4): 5648.51; (8)ACD/KOC (pH 5.5): 16874.34; (9)ACD/KOC (pH 7.4): 16874.34; (10)XLogP3: 4.6; (11)H bond acceptors: 1; (12)H bond donors: 0; (13)Freely Rotating Bonds: 9; (14)Polar Surface Area: 17.07 Å2; (15)Index of Refraction: 1.442; (16)Molar Refractivity: 57.88 cm3; (17)Molar Volume: 218.6 cm3; (18)Polarizability: 22.94×10-24cm3; (19)Surface Tension: 30.3 dyne/cm; (20)Density: 0.936 g/cm3; (21)Flash Point: 112.4 °C; (22)Enthalpy of Vaporization: 48.75 kJ/mol; (23)Boiling Point: 250.3 °C at 760 mmHg; (24)Vapour Pressure: 0.0219 mmHg at 25 °C.
Use of Undecanoyl chloride: it can reacts with Fluorene to get 1-Fluoren-2-yl-undecan-1-one.
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This reaction needs AlCl3 and CS2 at temperature of 20 °C. The yield is 68 %.
When you are using this chemical, please be cautious about it as the following: Undecanoyl chloride may cause burns and react violently with water. Please wear suitable protective clothing, gloves and eye/face protection when use it, and take off immediately all contaminated clothing. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Besides, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
SMILES:ClC(=O)CCCCCCCCCC
InChI:InChI=1/C11H21ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3
InChIKey:JUKPJGZUFHCZQI-UHFFFAOYAA
Std. InChI:InChI=1S/C11H21ClO/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3
Std. InChIKey:JUKPJGZUFHCZQI-UHFFFAOYSA-N