All Photos(3)
About This Item
Linear Formula:
FC6H4NHCH3
CAS Number:
Molecular Weight:
125.14
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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
Application
4-Fluoro-N-methylaniline was used as a model compound to study the in vivo and in vitro biotransformation of secondary aromatic amines.
Signal Word
Danger
Hazard Statements
Precautionary Statements
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
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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
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
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