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162310

Sigma-Aldrich

3-Fluoroanisole

99%

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About This Item

Linear Formula:
FC6H4OCH3
CAS Number:
456-49-5
Molecular Weight:
126.13
EC Number:
207-267-4
MDL number:
MFCD00000335
UNSPSC Code:
12352100
PubChem Substance ID:
24849977
NACRES:
NA.22

Quality Level

100

Assay

99%

form

liquid

refractive index

n20/D 1.488 (lit.)

bp

158 °C/743 mmHg (lit.)

density

1.104 g/mL at 25 °C (lit.)

functional group

fluoro

SMILES string

COc1cccc(F)c1

InChI

1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

InChI key

MFJNOXOAIFNSBX-UHFFFAOYSA-N

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Application

3-Fluoroanisole was used in the synthesis of 4-fluoro-5,6-dihydroxytryptamine. It was also used in the synthesis of 3-fluoro- and 5-fluoronoradrenaline.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

111.2 °F - closed cup

Flash Point(C)

44 °C - closed cup

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.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

162310-100G:
162310-25G:
162310-VAR:
162310-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK1618
STBG3490V
STBC7012V
STBC0030V
STBB8828V

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Synthesis and EPR investigations of fluorocatecholamines.
Stegmann HB, et al.
Journal of the Chemical Society. Perkin Transactions 1, 2(3), 547-555 (1994)
M Kawase et al.
Journal of medicinal chemistry, 33(8), 2204-2211 (1990-08-01)
The 5,6-dihydroxytryptamine (5,6-DHT) derivatives 4-fluoro- and 7-fluoro-5,6-DHTs (26a,b) and 4,7-difluoro-5,6-DHT (26c) were synthesized from 3-fluoroanisole (1) and 1,4-difluoro-2,3-dimethoxybenzene (13), respectively. Efficient methods were developed for the conversion of 1 to 4-fluoro- and 7-fluoro-5,6-bis(benzyloxy)indoles (12a,b, respectively), and 13 to 4,7-difluoro-5,6-[( diphenylmethylene)dioxy]indole
Oriol Planas et al.
Science (New York, N.Y.), 367(6475), 313-317 (2020-01-18)
Bismuth catalysis has traditionally relied on the Lewis acidic properties of the element in a fixed oxidation state. In this paper, we report a series of bismuth complexes that can undergo oxidative addition, reductive elimination, and transmetallation in a manner

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