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Merck
CN

40859

Sigma-Aldrich

1-Bromo-4-(heptadecafluorooctyl)benzene

≥95.0%

Synonym(s):

1-Bromo-4-(perfluorooctyl)benzene

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About This Item

Empirical Formula (Hill Notation):
C14H4BrF17
CAS Number:
206560-77-2
Molecular Weight:
575.06
Beilstein:
7895098
MDL number:
MFCD03791078
UNSPSC Code:
12352200
PubChem Substance ID:
57650031
NACRES:
NA.22

Key Documents

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Assay

≥95.0%

mp

35-40 °C

SMILES string

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ccc(Br)cc1

InChI

1S/C14H4BrF17/c15-6-3-1-5(2-4-6)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)32/h1-4H

InChI key

XDEOJAJPLXXYKA-UHFFFAOYSA-N

Other Notes

Preparation of perfluoroalkylphenyl derivatives; Synthesis of a perfluoro-tagged phosphine for Stille couplings in a fluorous biphasic system

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Dam. 1 - Lact. - Repr. 1B - STOT RE 1

Target Organs

Liver

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
1446798
1431736
1417717
064537/1
64537/1

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K.J.L. Paciorek et al.
Journal of Fluorine Chemistry, 88, 55-55 (1998)
Repetitive Application of Perfluoro-Tagged Pd Complexes for Stille Couplings in a Fluorous Biphasic System This work was supported by Fluka (Buchs) and Byk Gulden Pharmaceuticals (Konstanz). S.S. thanks Fluka for financial support. We would also thank Priv.-Doz. Dr. C. Rücker for help in the preparation of the manuscript.
Schneider et al.
Angewandte Chemie (International ed. in English), 39(22), 4142-4145 (2000-11-28)

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