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442249

Supelco

1,4-Difluorobenzene

analytical standard

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About This Item

Empirical Formula (Hill Notation):
C6H4F2
CAS Number:
Molecular Weight:
114.09
Beilstein:
1904541
EC Number:
MDL number:
UNSPSC Code:
12000000
PubChem Substance ID:

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

SMILES string

Fc1ccc(F)cc1

InChI

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

InChI key

QUGUFLJIAFISSW-UHFFFAOYSA-N

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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.
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Pictograms

Flame

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

35.6 °F - closed cup

Flash Point(C)

2.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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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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