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345660

Sigma-Aldrich

1,2-Dichloro-4-fluoro-5-nitrobenzene

95%

Linear Formula:
Cl2C6H2(F)NO2
CAS Number:
Molecular Weight:
209.99
MDL number:
PubChem Substance ID:
NACRES:
NA.22

assay

95%

refractive index

n20/D 1.575 (lit.)

bp

247 °C (lit.)

mp

17 °C (lit.)

density

1.596 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1cc(Cl)c(Cl)cc1F

InChI

1S/C6H2Cl2FNO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H

InChI key

FXOCDIKCKFOUDE-UHFFFAOYSA-N

General description

Proton-detected local field (PDLF) spectra of 1,2-dichloro-4-fluoro-5-nitrobenzene in nematic solvents has been studied.

Application

1,2-Dichloro-4-fluoro-5-nitrobenzene may be used in the combinatorial solid-phase synthesis of bis-heterocyclic compounds. It was employed as solute to investigate the possibility of selective excitation in coupled multispin systems.

Packaging

5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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Miroslav Soural et al.
Journal of combinatorial chemistry, 10(6), 923-933 (2008-09-25)
Combinatorial solid-phase synthesis of bis-heterocyclic compounds, characterized by the presence of two heterocyclic cores connected by a spacer of variable length/structure, provided structurally heterogeneous libraries with skeletal diversity. Both heterocyclic rings were assembled on resin in a combinatorial fashion.
Selective excitation in dipole coupled systems.
Walls JD, et al.
Chemical Physics Letters, 357(3), 241-248 (2002)
Measurement of dipolar couplings in partially oriented molecules by local field NMR spectroscopy with low-power decoupling.
Marjanska M, et al.
Journal of Magnetic Resonance, 158(1), 52-59 (2002)

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