Nonanoyl chloride

Base Information

• Chemical Name: Nonanoyl chloride
• CAS No.: 764-85-2
• Molecular Formula: C9H17ClO
• Molecular Weight: 176.686
• Hs Code.: 2915 90 70
• European Community (EC) Number: 212-131-2
• NSC Number: 9829
• UNII: 0V0DUM0390
• DSSTox Substance ID: DTXSID3042215
• Nikkaji Number: J110.169B
• Wikidata: Q27894139
• ChEMBL ID: CHEMBL3189014
• Mol file: 764-85-2.mol

Synonyms:Nonanoyl chloride;764-85-2;Nonanoylchloride;Nonanoic acid chloride;Pelargonoyl chloride;Pelargonyl chloride;n-Nonanoyl chloride;pelargonic acid chloride;C9H17ClO;DTXSID3042215;0V0DUM0390;NSC 9829;NSC-9829;EINECS 212-131-2;MFCD00000768;Nonanoyl Chlorid;Nananoyl Chloride;nonanic acid chloride;Nonanoyl chloride, 96%;SCHEMBL378269;UNII-0V0DUM0390;CHEMBL3189014;DTXCID1022215;NSC9829;Tox21_202869;AKOS009031353;NCGC00260415-01;BP-31206;CAS-764-85-2;FT-0632906;N0372;N0813;D91690;A838721;Q27894139;F1905-6978;Nonanoyl chloride, Pelargonyl chloride, Pelargonic acid chloride

Chemical Property of Nonanoyl chloride

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Vapor Pressure: 0.154mmHg at 25°C
• Melting Point: -60.5 °C
• Refractive Index: 1.438
• Boiling Point: 214.7 °C at 760 mmHg
• Flash Point: 95 °C
• PSA: 17.07000
• Density: 0.951 g/cm³
• LogP: 3.50240
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Water Solubility.: Reacts with water.
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 176.0967929
• Heavy Atom Count: 11
• Complexity: 102

Purity/Quality:

99% purity ^*data from raw suppliers

Nonanoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 14-34-37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CCCCCCCCC(=O)Cl
• Uses: Nonanoyl chloride is used for the acylation of amine groups of chitosan to simultaneously improve its material properties and adsorption capacity. It was also used in the synthesis of N-nonanoyl piperonylamide, caged vanilloid, N-(4-hydroxy-3-methoxybenzyl)-N-(2-nitrobenzyl)-nonanoylamide or N-(2-Nitrobenzyl)-N-vanillyl-nonanoylamide, n-benzylnonanamide.

Technology Process of Nonanoyl chloride

There total 7 articles about Nonanoyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

nonanoic acid (112-05-0) → Nonanoyl chloride (764-85-2)

Guidance literature:

With thionyl chloride; for 4h; Reflux;

DOI:10.1016/j.bmcl.2010.07.089

Reference yield: 73.0%

nonanoic acid (112-05-0) → Nonanoyl chloride (764-85-2) + nonanoic anhydride (1680-36-0)

Guidance literature:

With phosphorus trichloride; at 40 - 50 ℃; 4-5h;

DOI:10.1007/BF00960670

Reference yield:

oxalyl dichloride (79-37-8) + nonanoic acid (112-05-0) → Nonanoyl chloride (764-85-2)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

nonanoic acid

oxalyl dichloride

thionyl chloride

nonan-1-al

Downstream raw materials:

1-nonanoyl-hexahydro-azepine

nonanoic acid pentachlorophenyl ester

nonanoic acid-[4-(2-diethylamino-ethoxy)-anilide]; hydrochloride

N-(4-hydroxybenzyl)nonanamide

Refernces

• 1、 Ujan, Rabail,Saeed, Aamer,Ashraf, Saba,Channar, Pervaiz Ali,Abbas, Qamar,Rind, Mahboob Ali,Hassan, Mubashir,Raza, Hussain,Seo, Sung-Yum,El-Seedi, Hesham R.. "Synthesis, computational studies and enzyme inhibitory kinetics of benzothiazole-linked thioureas as mushroom tyrosinase inhibitors". . p. 7035 - 7043. Retrieved 2020/08/12.
• 2、 Chen, HaiJiao,Liu, Bo,Sun, Peng,Yang, Xinmei,Yao, Qingqiang,Zhi, Ying. "L-ascorbyl 6-palmitate as lead compound targeting SphK1: an in silico and in vitro investigation". . p. 781 - 787. Retrieved 2021/04/05.