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Merck
CN

442249

1,4-Difluorobenzene

analytical standard

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About This Item

Empirical Formula (Hill Notation):
C6H4F2
CAS Number:
540-36-3
Molecular Weight:
114.09
EC Number:
208-742-9
UNSPSC Code:
12352200
PubChem Substance ID:
24867755
Beilstein/REAXYS Number:
1904541
MDL number:
MFCD00000344
NACRES:
NA.24

Key Documents

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Product Name

1,4-Difluorobenzene, analytical standard

InChI key

QUGUFLJIAFISSW-UHFFFAOYSA-N

InChI

1S/C6H4F2/c7-5-1-2-6(8)4-3-5/h1-4H

SMILES string

Fc1ccc(F)cc1

grade

analytical standard

CofA

current certificate can be downloaded

packaging

ampule of 1000 mg

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.441 (lit.)

bp

88-89 °C (lit.)

mp

−13 °C (lit.)

density

1.11 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

storage temp.

2-30°C

Quality Level

100

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Application

1,4-Difluorobenzene has been used as a dopant, in order to ionize the soluble organic species present in huolinguole lignite coal by using atmospheric pressure photoionization technique coupled with mass spectrometry (APPI-MS). It also plays role of an internal standard in investigating the 19F nuclear magnetic resonance (NMR) spectrum of electrophilic trifluoromethyl thiolating agents prepared from nucleophilic tetramethylammonium trifluoromethyl thiolate.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

pcodes

P210

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

35.6 °F - closed cup

flash_point_c

2.0 °C - closed cup

ppe

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
LRAE0977
LRAD3092
LC22239V
LC17127V
LC10127V

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Analysis of Soluble Organic Species of Huolinguole Lignite by Atmospheric Pressure Photoionization-Mass Spectrometry
Ya-Ru Y, et al.
Chinese Journal of Analytical Chemistry, 45, 1005-1011 (2017)
Preparation of Electrophilic Trifluromethylthio Reagents from Nucleophilic Tetramethylammonium Trifluoromethylthiolate
Kovacs S, et al.
Advanced Synthesis & Catalysis, 359, 250-254 (2017)
Michael H Abraham et al.
European journal of medicinal chemistry, 44(2), 885-890 (2008-07-08)
The convulsant activity of 48 compounds studied by Eger et al. has been analyzed using an Abraham solvation equation. Four compounds identified by Eger et al. as more potent than expected were similarly identified, and for the remaining 44 compounds

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