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196606

Sigma-Aldrich

2,5-Difluoroaniline

99.5%

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About This Item

Linear Formula:
F2C6H3NH2
CAS Number:
367-30-6
Molecular Weight:
129.11
Beilstein:
2802549
EC Number:
206-690-1
MDL number:
MFCD00007651
UNSPSC Code:
12352100
PubChem Substance ID:
24851774
NACRES:
NA.22

Quality Level

100

Assay

99.5%

refractive index

n20/D 1.513 (lit.)

bp

176-178 °C (lit.)

mp

11-13 °C (lit.)

density

1.288 g/mL at 25 °C (lit.)

SMILES string

Nc1cc(F)ccc1F

InChI

1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2

InChI key

YNOOQIUSYGWMSS-UHFFFAOYSA-N

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Application

2,5-Difluoroaniline was used in the synthesis of 2,4-di-tert-butyl-6-[(2,5-difluorophenyl)iminomethyl]phenol. It was also used in ultrasound-assisted preparation of 1,4-diazabutadienes.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332,H317

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Skin Sens. 1

WGK

WGK 3

Flash Point(F)

150.8 °F

Flash Point(C)

66 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Omer Celik et al.
Acta crystallographica. Section E, Structure reports online, 65(Pt 11), o2786-o2786 (2009-01-01)
In the title Schiff base, C(21)H(25)F(2)NO, the dihedral angle between the aromatic rings is 27.90(5)° and an intramolecular O-H⋯N hydrogen bond occurs. In the crystal, the molecules are linked by C-H⋯O, C-H⋯N and C-H⋯F interactions.
Jing-Yu He et al.
Ultrasonics sonochemistry, 18(1), 466-469 (2010-08-28)
An ultrasound-assisted preparation of 1,4-diazabutadienes via smooth condensation of diketones with amines under solvent-free conditions is described. The generality of this method was examined by the synthesized N,N'-diaryl- and N,N'-dialkyl-1,4-diazabutadiene derivatives. In addition to experimental simplicity, the main advantages of
I M Rietjens et al.
Chemico-biological interactions, 94(1), 49-72 (1995-01-01)
The in vivo metabolite patterns of 2,5-difluoroaminobenzene and of its nitrobenzene analogue, 2,5-difluoronitrobenzene, were determined using 19F NMR analysis of urine samples. Results obtained demonstrate significant differences between the biotransformation patterns of these two analogues. For the aminobenzene, cytochrome P450

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