1-Fluoroheptane

Base Information

• Chemical Name: 1-Fluoroheptane
• CAS No.: 661-11-0
• Molecular Formula: C7H15 F
• Molecular Weight: 118.195
• Hs Code.: 2903499090
• European Community (EC) Number: 211-545-0
• DSSTox Substance ID: DTXSID7060964
• Nikkaji Number: J49.358I
• Wikidata: Q81989243
• Mol file: 661-11-0.mol

Synonyms:1-FLUOROHEPTANE;661-11-0;Heptane, 1-fluoro-;n-Heptyl fluoride;1-fluoro-heptane;BRN 1697158;EINECS 211-545-0;4-01-00-00387 (Beilstein Handbook Reference);Heptyl fluoride;n-heptylfluorid;1-Fluoroheptane, 98%;SCHEMBL30108;C7H15F;DTXSID7060964;C7-H15-F;MFCD00013581;AKOS007930498;LS-74340;FT-0607783;A835340

Chemical Property of 1-Fluoroheptane

Chemical Property:

• Vapor Pressure: 20.4mmHg at 25°C
• Melting Point: -73°C
• Refractive Index: n20/D 1.386(lit.)
• Boiling Point: 119.2 °C750 mm Hg(lit.)
• Flash Point: 57 °F
• PSA: 0.00000
• Density: 0.806 g/mL at 25 °C(lit.)
• LogP: 2.92630
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 118.115778641
• Heavy Atom Count: 8
• Complexity: 35.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Fluoroheptane 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi,T
• Hazard Codes: F,Xi,T
• Statements: 11-36/37/38
• Safety Statements: 16-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCF

Technology Process of 1-Fluoroheptane

There total 13 articles about 1-Fluoroheptane 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: 86.0%

n-heptan1ol (111-70-6) → 1-fluoroheptane (661-11-0)

Guidance literature:

With potassium fluoride; triphenylphosphine; In tetrachloromethane; N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1007/s00706-005-0296-9

Reference yield: 78.0%

n-heptan1ol (111-70-6) + 1,1,2,2-tetrafluoro-N,N-dimethylethan-1-amine (1550-50-1) → 1-fluoroheptane (661-11-0) + Difluoroacetic acid N,N-dimethylamide (667-50-5)

Guidance literature:

at 65 ℃; for 1h;

DOI:10.1016/S0022-1139(01)00372-4

Reference yield: 65.0%

1-heptyl-2,4,6-triphenyl-pyridinium; fluoride (71742-02-4) → 1-fluoroheptane (661-11-0)

Guidance literature:

at 120 ℃; under 760 Torr;

upstream raw materials:

1-heptyl 4-methylbenzenesulfonate

1-Bromoheptane

1-Chloroheptane

1-Iodoheptane

Downstream raw materials:

1-chloro-7-fluoro-heptane

1-Chloroheptane

1-Bromoheptane

1-Iodoheptane

Refernces

• 1、 -. "Fluorinating reactants and process for their preparation". Page 16. . Retrieved 2010/02/07.
• 2、 Namavari, Mohammad,Satyamurthy, N.,Barrio, Jorge R.. "Halogen-exchange reactions between alkyl fluorides and boron trihalides or tetrahalides. A convenient synthesis of alkyl halides from alkyl fluorides". . p. 89 - 93. Retrieved 2007/10/02.