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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.)

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

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 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

223069-1G:
223069-5G:
223069-VAR:
223069-BULK:

Certificates of Analysis (COA)

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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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