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9-Octadecenoylchloride, (9Z)-

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Name

9-Octadecenoylchloride, (9Z)-

EINECS 204-005-0
CAS No. 112-77-6 Density 0.918 g/cm3
PSA 17.07000 LogP 6.78930
Solubility N/A Melting Point N/A
Formula C18H33ClO Boiling Point 378 °C at 760 mmHg
Molecular Weight 300.912 Flash Point 182 °C
Transport Information UN 3265 8 Appearance BROWN LIQUID
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 112-77-6 (OLEOYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

9-(Z)-Octadecen-1-oyl chloride;(Z)-9-Octadecenoyl chloride;Oleic acid chloride;Oleic chloride;Oleylchloride;cis-9-Octadecenoyl chloride;9-Octadecenoylchloride, (Z)-;Oleoyl chloride (6CI,7CI,8CI);

Article Data 34

9-Octadecenoylchloride, (9Z)- Specification

The 9-Octadecenoylchloride, (9Z)- is an organic compound with the formula C18H33ClO. The systematic name of this chemical is (9Z)-octadec-9-enoyl chloride. With the CAS registry number 112-77-6, it is also named as (Z)-9-Octadecenoyl chloride. The product's categories are Acid Chlorides; Acid HalidesUnsaturated Fatty Acids and Derivatives; Carbonyl Compounds; Organic Building Blocks; Acid ChloridesUnsaturated Fatty Acids and Derivatives; Monoenoic Fatty Acids; Others; Unsaturated Fatty Acids and Derivatives.

Physical properties about 9-Octadecenoylchloride, (9Z)- are: (1)ACD/LogP: 8.44; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#Freely Rotating Bonds: 15; (5)Polar Surface Area: 17.07 Å2; (6)Index of Refraction: 1.463; (7)Molar Refractivity: 90.37 cm3; (8)Molar Volume: 327.7 cm3; (9)Polarizability: 35.82×10-24cm3; (10)Surface Tension: 31.9 dyne/cm; (11)Density: 0.918 g/cm3; (12)Flash Point: 182 °C; (13)Enthalpy of Vaporization: 62.59 kJ/mol; (14)Boiling Point: 378 °C at 760 mmHg; (15)Vapour Pressure: 6.48E-06 mmHg at 25°C.

Uses of 9-Octadecenoylchloride, (9Z)-: it can be used to produce octadec-9-enal at ambient temperature. It will need reagents HCOOH, NH4OH and solvents diethyl ether, CHCl3 with reaction time of 30 min. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)CCCCCCC\C=C/CCCCCCCC
(2)InChI: InChI=1/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9-
(3)InChIKey: MLQBTMWHIOYKKC-KTKRTIGZBM
(4)Std. InChI: InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9-
(5)Std. InChIKey: MLQBTMWHIOYKKC-KTKRTIGZSA-N

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