1,9-Dichlorononane

Base Information

• Chemical Name: 1,9-Dichlorononane
• CAS No.: 821-99-8
• Molecular Formula: C9H18Cl2
• Molecular Weight: 197.148
• European Community (EC) Number: 212-484-2
• NSC Number: 9477
• UNII: 4DXR427FMJ
• DSSTox Substance ID: DTXSID30870778
• Nikkaji Number: J79.967J
• Wikidata: Q57981753
• Mol file: 821-99-8.mol

Synonyms:1,9-DICHLORONONANE;821-99-8;Nonane, 1,9-dichloro-;C9H18Cl2;NSC 9477;NSC-9477;EINECS 212-484-2;MFCD00001024;NSC9477;Nonane,9-dichloro-;1,9-dichloro-nonane;4DXR427FMJ;SCHEMBL977941;C9-H18-Cl2;DTXSID30870778;AKOS015850594;CS-W001919;DS-1949;SY033661;AM20100798;D5116;FT-0711568

Chemical Property of 1,9-Dichlorononane

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.0203mmHg at 25°C
• Refractive Index: n20/D 1.4599(lit.)
• Boiling Point: 260 °C at 760 mmHg
• Flash Point: 98 °C
• PSA: 0.00000
• Density: 0.986 g/cm³
• LogP: 4.19470
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetone (Slightly), Chloroform (Soluble), DMSO (Slightly), DMSO (Slightly), Meth
• Water Solubility.: Insoluble in water.
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 196.0785560
• Heavy Atom Count: 11
• Complexity: 56.6

Purity/Quality:

99.9% ^*data from raw suppliers

1,9-Dichlorononane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCl)CCCCCl
• Uses: It is used as pharmaceutical intermediate. Many organisms use 1,9-dichlorononane as a sole carbon source. Bacteria on incubation of sewage with 1,9-dichlorononane increased its subsequent capacity to dehalogenate.

Technology Process of 1,9-Dichlorononane

There total 9 articles about 1,9-Dichlorononane 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: 97.0%

1,9-Nonanediol (3937-56-2) → 1,9-dichlorononane (821-99-8)

Guidance literature:

With Ethyl trichloroacetate; triphenylphosphine; In acetonitrile; at 10 - 15 ℃; for 3h;

Reference yield:

diethyl azelate (624-17-9) → 1,9-dichlorononane (821-99-8)

Guidance literature:

Multi-step reaction with 2 steps

1: copper chromite / 270 °C / 154457 Torr / Hydrogenation

2: pyridine; thionyl chloride

With pyridine; thionyl chloride; copper chromite;

Reference yield:

undecanedioic acid (1852-04-6) → 1,9-dichlorononane (821-99-8)

Guidance literature:

Multi-step reaction with 3 steps

1: (esterification)

2: Na / ethanol

3: SOCl₂

With thionyl chloride; sodium; In ethanol;

DOI:10.1007/BF00771468

upstream raw materials:

1,9-Nonanediol

N,N'-nonanediyl-bis-benzamide

phosphorus pentachloride

diethyl azelate

Downstream raw materials:

1-iodo-9-chlorononane

1,9-diiodononane

C₂₃H₂₉ClN₂O

C₂₃H₂₉ClN₂

Refernces

• 1、 Matveeva, E. D.,Kurts, A. L.,Yalovskaya, A. I.,Nikishova, N. G.,Bundel', Yu. G.. "REGIOSPECIFIC AND STEREOSPECIFIC SUBSTITUTION OF HYDROXYL IN ALIPHATIC ALCOHOLS BY HALOGEN". . p. 642 - 646. Retrieved 2007/10/02.