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28623

Sigma-Aldrich

4-(Heptadecafluorooctyl)aniline

≥95.0% (GC)

Synonym(s):

4-(Perfluorooctyl)aniline

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About This Item

Empirical Formula (Hill Notation):
C14H6F17N
CAS Number:
83766-52-3
Molecular Weight:
511.18
MDL number:
MFCD28134623
UNSPSC Code:
12352100
PubChem Substance ID:
57648316
NACRES:
NA.22

Assay

≥95.0% (GC)

form

solid

mp

42-47 °C

functional group

fluoro

SMILES string

NC1=CC=C(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F)F)F)C=C1

InChI

1S/C14H6F17N/c15-7(16,5-1-3-6(32)4-2-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-4H,32H2

InChI key

ZQTZVMUNYIDMJV-UHFFFAOYSA-N

Related Categories

Application

4-(Heptadecafluorooctyl)aniline was used in the synthesis of fluorous (S)-pyrrolidine-thiourea bifunctional organocatalyst.

Other Notes

Building block for introducing a 4-perfluoroalkylaryl moiety

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCBZ5174
BCBZ3283
BCBQ4940V
BCBM8426V
BCBD4704V

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D. Crich et al.
Tetrahedron, 55, 14261-14261 (1999)
N. Yoshino et al.
Bulletin of the Chemical Society of Japan, 65, 2141-2141 (1992)
M. Matsui et al.
Liq. Cryst., 21, 669-669 (1996)
Liang Wang et al.
Synlett : accounts and rapid communications in synthetic organic chemistry, 3(2010), 433-436 (2010-08-19)
A novel fluorous (S)-pyrrolidine-thiourea bifunctional organocatalyst is prepared. The catalyst shows good activity and enantioselectivity for direct α-chlorination of aldehydes using N-chlorosuccinimide (NCS) as the chlorine source. It can be recovered from the reaction mixture by fluorous solid-phase extraction with

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