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Nonanoyl chloride

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Name

Nonanoyl chloride

EINECS 212-131-2
CAS No. 764-85-2 Density 0.951 g/cm3
PSA 17.07000 LogP 3.50240
Solubility Reacts with water. Melting Point -60.5 °C
Formula C9H17ClO Boiling Point 214.7 °C at 760 mmHg
Molecular Weight 176.686 Flash Point 95 °C
Transport Information UN 3265 Appearance clear slightly yellow liquid
Safety 26-36/37/39-45 Risk Codes 14-34-37
Molecular Structure Molecular Structure of 764-85-2 (Nonanoyl chloride) Hazard Symbols CorrosiveC
Synonyms

NSC 9829;Nonanoic acid chloride;Pelargonic acid chloride;Pelargonoyl chloride;Pelargonyl chloride;n-Nonanoyl chloride;

Article Data 49

Nonanoyl chloride Specification

The IUPAC name of Nonanoyl chloride is nonanoyl chloride. With the CAS registry number 764-85-2, it is also named as Pelargonoyl chloride. The product's category is Acid Chlorides. Besides, it is clear slightly yellow liquid, which is moisture sensitive. This chemical should be stored in dry inert gas in sealed container that is placed in a dry and cool place. In addition, its molecular formula is C9H17ClO and molecular weight is 176.68.

The other characteristics of this product can be summarized as: (1)EINECS: 212-131-2; (2)ACD/LogP: 4.18; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.18; (5)ACD/LogD (pH 7.4): 4.18; (6)ACD/BCF (pH 5.5): 879.59; (7)ACD/BCF (pH 7.4): 879.59; (8)ACD/KOC (pH 5.5): 4457.77; (9)ACD/KOC (pH 7.4): 4457.77; (10)#H bond acceptors: 1; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 7; (13)Polar Surface Area: 17.07 Å2; (14)Index of Refraction: 1.436; (15)Molar Refractivity: 48.62 cm3; (16)Molar Volume: 185.6 cm3; (17)Polarizability: 19.27×10-24cm3; (18)Surface Tension: 29.8 dyne/cm; (19)Density: 0.951 g/cm3; (20)Flash Point: 95 °C; (21)Melting Point: -60.5 °C; (22)Enthalpy of Vaporization: 45.1 kJ/mol; (23)Boiling Point: 214.7 °C at 760 mmHg; (24)Vapour Pressure: 0.154 mmHg at 25 °C.

Preparation of Nonanoyl chloride: this chemical can be prepared by Nonanoic acid.



This reaction needs PCl3 at temperature of 40-50 °C. The reaction time is 4-5 hours. The yield is 73 %.

Uses of Nonanoyl chloride: it can react with 4-Aminomethyl-2-methoxy-phenol to get N-Vanillyl-nonanamide.



This reaction needs Dimethylformamide and Diethyl ether at ambient temperature. The yield is 59 %.

When you are using this chemical, please be cautious about it as the following: it reacts violently with water.And it may cause burns. Moreover, it is irritating to respiratory system. You should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Furthermore, 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.
(1)SMILES: ClC(=O)CCCCCCCC
(2)InChI: InChI=1/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
(3)InChIKey: NTQYXUJLILNTFH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
(5)Std. InChIKey: NTQYXUJLILNTFH-UHFFFAOYSA-N

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