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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

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

270237-VAR:
270237-BULK:
270237-5G:
270237-25G:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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