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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

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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