1-Chlorononafluorobutane

Base Information

• Chemical Name: 1-Chlorononafluorobutane
• CAS No.: 558-89-4
• Molecular Formula: C4ClF9
• Molecular Weight: 254.483
• Hs Code.: 2903779090
• European Community (EC) Number: 805-724-8
• DSSTox Substance ID: DTXSID70371491
• Nikkaji Number: J1.161.074I
• Wikidata: Q82158825
• Mol file: 558-89-4.mol

Synonyms:1-Chlorononafluorobutane;558-89-4;1-chloro-1,1,2,2,3,3,4,4,4-nonafluorobutane;4-chloro-1,1,1,2,2,3,3,4,4-nonafluorobutane;SCHEMBL793254;DTXSID70371491;GIUDNRMHWCAPGM-UHFFFAOYSA-N;MFCD00798130;AKOS007930101;FT-0607653;A830849;1-chloranyl-1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane

Chemical Property of 1-Chlorononafluorobutane

Chemical Property:

• Vapor Pressure: 625mmHg at 25°C
• Refractive Index: 1.274
• Boiling Point: 30.5°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.64g/cm³
• LogP: 3.65090
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 253.9544812
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

1-Chlorononafluorobutane 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(F)(F)Cl)(F)F)(C(F)(F)F)(F)F

Technology Process of 1-Chlorononafluorobutane

There total 6 articles about 1-Chlorononafluorobutane 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: 43.8%

n-Butyl chloride (109-69-3) → perfluorobutane (355-25-9) + chloro-1 de perfluorobutane (558-89-4)

Guidance literature:

With fluorine; at -30 - 10 ℃; Yields of byproduct given; Irradiation; steady-state flow process; the hydrocarbon vapor is condensed onto a NaF preaerosol and then subjected to attack by an excess of elemental F in He at first in the dark, then under UV irradiation;

DOI:10.1021/jo00189a014

Reference yield: 43.8%

n-Butyl chloride (109-69-3) → perfluorobutane (355-25-9) + chloro-1 de perfluorobutane (558-89-4)

Guidance literature:

With fluorine; at -30 - 10 ℃; Mechanism; Product distribution; Irradiation; steady-state flow process; the hydrocarbon vapor is condensed onto a NaF preaerosol and then subjected to attack by an excess of elemental F in He at first in the dark, then under UV irradiation;

DOI:10.1021/jo00189a014

Reference yield: 20.0%

iodotrifluoromethane (2314-97-8,263005-66-9) → chlorotrifluoromethane (75-72-9) + chloro-1 de perfluorobutane (558-89-4) + 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2)

Guidance literature:

With C₄F₉SO₂Cl; at 200 ℃; for 120h;

DOI:10.1016/S0022-1139(00)81481-5

upstream raw materials:

n-Butyl chloride

iodotrifluoromethane

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

trifluoromethane sulfonyl chloride

Downstream raw materials:

perfluorobutane

Refernces

• 1、 Oudrhiri-Hassani, M.,Brunel, D.,Germain, A.,Commeyras, A.. "THERMOLYSE DES HALOGENURES DE PERFLUOROALCANESULFONYLE". . p. 491 - 504. Retrieved 2007/10/02.