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Merck
CN

270237

3,4-Difluoroaniline

99%

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About This Item

Linear Formula:
F2C6H3NH2
CAS Number:
3863-11-4
Molecular Weight:
129.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24856364
EC Number:
223-381-7
Beilstein/REAXYS Number:
971235
MDL number:
MFCD00007761
Assay:
99%
Form:
liquid

Key Documents

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InChI key

AXNUZKSSQHTNPZ-UHFFFAOYSA-N

InChI

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

SMILES string

Nc1ccc(F)c(F)c1

assay

99%

form

liquid

Quality Level

100

bp

77 °C/7 mmHg (lit.)

density

1.302 g/mL at 25 °C (lit.)

functional group

fluoro

Related Categories

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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ9523
MKCV9488
MKCV8599
MKAA3072
MKAA3072V

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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
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)

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