7-Fluoroheptanoic acid

Base Information

• Chemical Name: 7-Fluoroheptanoic acid
• CAS No.: 334-28-1
• Molecular Formula: C7H13FO2
• Molecular Weight: 148.1753
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID20187029
• Nikkaji Number: J49.361I
• Wikidata: Q83058544
• Mol file: 334-28-1.mol

Synonyms:7-Fluoroheptanoic acid;334-28-1;HEPTANOIC ACID, 7-FLUORO-;omega-Fluoroheptanoic acid;BRN 1752110;7-fluoro-heptanoic acid;7-Fluoroenanthic acid;starbld0031278;SCHEMBL7873409;DTXSID20187029;AKOS006375465;LS-74392

Chemical Property of 7-Fluoroheptanoic acid

Chemical Property:

• Vapor Pressure: 0.0109mmHg at 25°C
• Melting Point: 10°C
• Refractive Index: 1.4207
• Boiling Point: 242.9°Cat760mmHg
• Flash Point: 100.7°C
• PSA: 37.30000
• Density: 1.027g/cm³
• LogP: 1.99100
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 148.08995782
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

98%min ^*data from raw suppliers

7-FLUOROHEPTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCF)CCC(=O)O

Technology Process of 7-Fluoroheptanoic acid

There total 3 articles about 7-Fluoroheptanoic acid 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: 72.0%

7-boronoheptanoic acid (1361022-80-1) → 7-fluoro-heptanoic acid (334-28-1)

Guidance literature:

With phosphoric acid; silver nitrate; Selectfluor; In dichloromethane; water; at 50 ℃; for 8h; Schlenk technique; Inert atmosphere;

DOI:10.1021/ja509548z

Reference yield:

7-Fluoroheptanenitrile (334-44-1) → 7-fluoro-heptanoic acid (334-28-1)

Guidance literature:

With hydrogenchloride; und Erhitzen des Reaktionsprodukts mit wss.Schwefelsaeure;

DOI:10.1021/ja01591a062

Reference yield:

1-chloro-6-fluorohexane (1550-09-0) + methylammonium carbonate (15719-64-9,15719-76-3,97762-63-5) → 7-fluoro-heptanoic acid (334-28-1)

Guidance literature:

With diethyl ether; magnesium;

DOI:10.1021/jo01114a015

upstream raw materials:

1-chloro-6-fluorohexane

methylammonium carbonate

7-Fluoroheptanenitrile

7-boronoheptanoic acid

Downstream raw materials:

1,12-difluorododecane

10-fluoro-3-methyl-decanoic acid

Refernces