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270237

Sigma-Aldrich

3,4-Difluoroaniline

99%

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About This Item

Linear Formula:
F2C6H3NH2
CAS Number:
3863-11-4
Molecular Weight:
129.11
Beilstein:
971235
EC Number:
223-381-7
MDL number:
MFCD00007761
UNSPSC Code:
12352100
PubChem Substance ID:
24856364
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.513 (lit.)

bp

77 °C/7 mmHg (lit.)

density

1.302 g/mL at 25 °C (lit.)

SMILES string

Nc1ccc(F)c(F)c1

InChI

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

InChI key

AXNUZKSSQHTNPZ-UHFFFAOYSA-N

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General description

3,4-Difluoroaniline (3,4-DFA) was degraded, under aerobic conditions, by Pseudomonas fluorescens.

Application

3,4-Difluoroaniline was used in the synthesis of (3,4-disfluoro)phenylquione.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - 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 3

Flash Point(F)

185.0 °F - closed cup

Flash Point(C)

85 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Yuan-zhi Song et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 73(1), 96-100 (2009-03-10)
A novel (3,4-disfluoro)phenylquione (2F-PQ) was synthesized through the reaction of 3,4-Difluoroaniline and 1,4-benzoquinone. Its structure was verified by (1)H NMR, FTIR and Raman spectra. The ground-state geometries were optimized by using density functional theory (DFT) at B3LYP/6-311G+(d,p), B3PW91/6-311G+(d,p) and MPB3PW91/6-311G+(d,p)
Vassili M Travkin et al.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, 38(2), 121-132 (2003-03-06)
3,4-Dichloro- and 3,4-difluoroanilines were degraded by Pseudomonas fluorescens 26-K under aerobic conditions. In the presence of glucose strain degraded 170 mg/L of 3,4-dichloroaniline (3,4-DCA) during 2-3 days. Increasing of toxicant concentration up to 250 mg/L led to degradation of 3,4-DCA

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