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Undecanoyl chloride

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Name

Undecanoyl chloride

EINECS 241-741-1
CAS No. 17746-05-3 Density 0.937 g/cm3
PSA 17.07000 LogP 4.28260
Solubility N/A Melting Point N/A
Formula C11H21ClO Boiling Point 250.269 °C at 760 mmHg
Molecular Weight 204.74 Flash Point 112.385 °C
Transport Information UN 3265 8/PG 2 Appearance COA
Safety 26-27-36/37/39-45 Risk Codes 14-34
Molecular Structure Molecular Structure of 17746-05-3 (Undecanoyl chloride) Hazard Symbols CorrosiveC
Synonyms

NSC 83585;Undecanoic acid chloride;n-Undecanoyl chloride;

Article Data 36

Undecanoyl chloride 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.



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

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