Heptafluoropropyl bromide

Base Information

• Chemical Name: Heptafluoropropyl bromide
• CAS No.: 422-85-5
• Molecular Formula: C3BrF7
• Molecular Weight: 248.926
• Hs Code.: 2903799090
• European Community (EC) Number: 207-023-7
• DSSTox Substance ID: DTXSID3059971
• Nikkaji Number: J196.094F
• Wikidata: Q81985274
• ChEMBL ID: CHEMBL505176
• Mol file: 422-85-5.mol

Synonyms:Heptafluoropropyl bromide;422-85-5;1-Bromoheptafluoropropane;1-Bromo-1,1,2,2,3,3,3-heptafluoropropane;Heptafluoro-n-propyl bromide;n-Heptafluoropropyl bromide;Perfluoropropyl Bromide;HEPTAFLUORO-N-PROPYLBROMIDE;1-bromo-heptafluoro-propane;Propane, 1-bromo-1,1,2,2,3,3,3-heptafluoro-;EINECS 207-023-7;C3BrF7;C3-Br-F7;CHEMBL505176;SCHEMBL2720797;DTXSID3059971;MFCD00039238;AKOS015852900;FT-0607529;H0689;Propane,1-bromo-1,1,2,2,3,3,3-heptafluoro;T72457;1-Bromo-1,1,2,2,3,3,3-heptafluoropropane #;EN300-1936507;A826867;1-bromanyl-1,1,2,2,3,3,3-heptakis(fluoranyl)propane

Chemical Property of Heptafluoropropyl bromide

Chemical Property:

• Vapor Pressure: 1020mmHg at 25°C
• Refractive Index: 1.307
• Boiling Point: 16.8 °C at 760 mmHg
• PSA: 0.00000
• Density: 1.921 g/cm³
• LogP: 3.17170
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 247.90716
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

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

Heptafluoropropyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Heptafluoropropyl bromide

There total 22 articles about Heptafluoropropyl bromide 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: 81.0%

sodium hypobromide + heptafluorobutyramide (662-50-0) → perfluoropropyl bromide (422-85-5)

Guidance literature:

In water; byproducts: OCN(1-); 0.5 h in reflux.;

Reference yield:

silver heptafluorobutyrate (3794-64-7) → perfluoropropyl bromide (422-85-5)

Guidance literature:

With bromine; at 50 - 75 ℃;

DOI:10.1021/ja01125a511 DOI:10.1039/jr9520004259

Reference yield:

heptafluoro-butyric acid bromoamide (377-50-4) → perfluoropropyl bromide (422-85-5)

Guidance literature:

With sodium hydroxide; In not given; Boiling for 5 h with 30% NaOH.;

DOI:10.1021/ja01649a042

upstream raw materials:

heptafluorobutyric Acid

1-bromo-1,1,2,3,3,3-hexafluoro-propane

HFC-227ca

heptafluorobutyramide

Downstream raw materials:

4-perfluoroisopropylaniline

freon-218

Trifluoro-methanesulfonic acid heptafluoropropyl ester

Refernces

• 1、 Gruber, Stefan,Ametamey, Simon M.,Schibli, Roger. "Unexpected reactivity of cyclic perfluorinated iodanes with electrophiles". supporting information. p. 8999 - 9002. Retrieved 2018/08/21.
• 2、 Petrov, Viacheslav A.,Krespan, Carl G.. "Addition of some unreactive fluoroalkanes to tetrafluoroethylene.: Direct catalytic synthesis of F-butene-2". . p. 199 - 204. Retrieved 2007/10/03.