1,1,1,2,2,3,3-Heptafluoro-4-iodobutane

Base Information

• Chemical Name: 1,1,1,2,2,3,3-Heptafluoro-4-iodobutane
• CAS No.: 374-98-1
• Molecular Formula: C4H2 F7 I
• Molecular Weight: 309.953
• Hs Code.: 2903799090
• European Community (EC) Number: 206-779-5
• UNII: HDK5P9UB6S
• DSSTox Substance ID: DTXSID4059912
• Nikkaji Number: J213.572H
• Wikidata: Q81985258
• Mol file: 374-98-1.mol

Synonyms:374-98-1;2,2,3,3,4,4,4-Heptafluoro-1-iodobutane;1,1,1,2,2,3,3-Heptafluoro-4-iodobutane;Heptafluorobutyl iodide;Butane, 1,1,1,2,2,3,3-heptafluoro-4-iodo-;1H,1H-Heptafluorobutyl iodide;1H,1H-Heptafluoro-1-iodobutane;HDK5P9UB6S;4-Iodo-1,1,1,2,2,3,3-heptafluorobutane;EINECS 206-779-5;C4H2F7I;UNII-HDK5P9UB6S;1-Iodo-1H,1H-perfluorobutane;SCHEMBL4182547;1H,1H-Heptafluoro-1-iodobutan;DTXSID4059912;1H,1H-Heptafluoro-n-butyl iodide;C4-H2-F7-I;MFCD00013719;AKOS016015405;BS-22775;FT-0605896;1,1,1,2,2,3,3-Heptafluoro-4-iodobutane #;A823703

Chemical Property of 1,1,1,2,2,3,3-Heptafluoro-4-iodobutane

Chemical Property:

• Vapor Pressure: 52.5mmHg at 25°C
• Refractive Index: 1.3625
• Boiling Point: 95.1°Cat760mmHg
• Flash Point: 30.2°C
• PSA: 0.00000
• Density: 2.043g/cm³
• LogP: 3.25430
• Sensitive.: Light Sensitive
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 309.90894
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

1-Iodo-2,2,3,3,4,4,4-heptafluorobutane 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1,2,2,3,3-Heptafluoro-4-iodobutane

There total 3 articles about 1,1,1,2,2,3,3-Heptafluoro-4-iodobutane 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:

toluene-4-sulfonic acid-(1H,1H-heptafluoro-butyl ester) (312-66-3) → 2,2,3,3,4,4,4-heptafluoro-1-iodobutane (374-98-1)

Guidance literature:

With sodium iodide; diethylene glycol; at 220 ℃;

DOI:10.1021/ja01119a060

Reference yield:

C22H17F7OP(1+)*I(1-) → 2,2,3,3,4,4,4-heptafluoro-1-iodobutane (374-98-1)

Guidance literature:

In solid; at 160 - 190 ℃; Yield given;

DOI:10.1016/S0040-4039(00)73201-1

Reference yield:

2,2,3,3,4,4,4-heptafluorobutylamine (374-99-2) → 2,2,3,3,4,4,4-heptafluoro-1-iodobutane (374-98-1)

Guidance literature:

With hydrogenchloride; sodium nitrite; Einleiten von Jodwasserstoff in eine Loesung des Reaktionsprodukts in Bis-<2-chlor-aethyl>-aether;

DOI:10.1021/jo01372a018

upstream raw materials:

2,2,3,3,4,4,4-heptafluorobutylamine

toluene-4-sulfonic acid-(1H,1H-heptafluoro-butyl ester)

Downstream raw materials:

2,3,3,4,4,4-hexafluoro-1-butene

C₈H₂F₁₃IO₄

trifluoroacetic acid

C₁₂H₇F₁₃INS₂O₄

Refernces