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223069

Sigma-Aldrich

4-Fluoro-N-methylaniline

97%

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About This Item

Linear Formula:
FC6H4NHCH3
CAS Number:
459-59-6
Molecular Weight:
125.14
EC Number:
207-294-1
MDL number:
MFCD00017942
UNSPSC Code:
12352100
PubChem Substance ID:
24853365
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.5320 (lit.)

bp

79 °C/11 mmHg (lit.)

density

1.040 g/mL at 25 °C (lit.)

functional group

amine

SMILES string

CNc1ccc(F)cc1

InChI

1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3

InChI key

VLWRKVBQUANIGI-UHFFFAOYSA-N

Related Categories

Application

4-Fluoro-N-methylaniline was used as a model compound to study the in vivo and in vitro biotransformation of secondary aromatic amines.

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H301,H315,H317,H318,H335

Hazard Classifications

Acute Tox. 3 Oral - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

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

WGK

WGK 2

Flash Point(F)

168.8 °F - closed cup

Flash Point(C)

76 °C - closed cup

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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M G Boersma et al.
Drug metabolism and disposition: the biological fate of chemicals, 21(2), 218-230 (1993-03-01)
In vivo and in vitro biotransformation of secondary aromatic amines was investigated using 4-fluoro-N-methylaniline as the model compound. Attention was focused on the role of cytochromes P-450 and the flavin-containing monooxygenase in formation of the various metabolic products. In vitro
James P Driscoll et al.
Chemical research in toxicology, 23(5), 861-863 (2010-04-08)
Here, we report on the mechanism by which flavin-containing monooxygenase 1 (FMO1) mediates the formation of a reactive intermediate of 4-fluoro-N-methylaniline. FMO1 catalyzed a carbon oxidation reaction coupled with defluorination that led to the formation of 4-N-methylaminophenol, which was a

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