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Safety Information

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

Quality Level

100

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

28623-BULK-F:
28623-VAR-F:
28623-10G-F:

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Certificates of Analysis (COA)

Lot/Batch Number
BCBZ5174
BCBZ3283
BCBQ4940V
BCBM8426V
BCBD4704V

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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)
D. Crich et al.
Tetrahedron, 55, 14261-14261 (1999)
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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