4-Chlorononan-5-one

Base Information

• Chemical Name: 4-Chlorononan-5-one
• CAS No.: 61295-53-2
• Molecular Formula: C9H17 Cl O
• Molecular Weight: 176.686
• European Community (EC) Number: 262-694-3
• DSSTox Substance ID: DTXSID70886434
• Nikkaji Number: J268.433K
• Mol file: 61295-53-2.mol

Synonyms:4-Chlorononan-5-one;5-Nonanone, 4-chloro-;4-Chloro-5-nonanone;61295-53-2;EINECS 262-694-3;SCHEMBL11658570;DTXSID70886434

Chemical Property of 4-Chlorononan-5-one

Chemical Property:

• Vapor Pressure: 0.19mmHg at 25°C
• Boiling Point: 210.7°C at 760 mmHg
• Flash Point: 122°C
• PSA: 17.07000
• Density: 0.95g/cm³
• LogP: 3.15320
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 176.0967929
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C(CCC)Cl

Technology Process of 4-Chlorononan-5-one

There total 3 articles about 4-Chlorononan-5-one 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: 70.0%

(1-butyl-pent-1-enyloxy)-trimethyl-silane (62183-32-8) → 4-chloro-5-nonanone (61295-53-2)

Guidance literature:

With copper dichloride; In N,N-dimethyl-formamide; 1) r.t., 3 h, 2) 50 deg C, 30 min;

DOI:10.1021/jo01298a062

Reference yield: 60.0%

nonanone-5 (502-56-7) → 4-chloro-5-nonanone (61295-53-2)

Guidance literature:

With sulfuryl dichloride; In tetrachloromethane; for 1h;

DOI:10.1016/S0957-4166(98)00470-4

Reference yield:

→ 4-chloro-5-nonanone (61295-53-2)

Guidance literature:

DOI:10.1021/ja00776a025

upstream raw materials:

nonanone-5

(1-butyl-pent-1-enyloxy)-trimethyl-silane