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529060 Sigma-Aldrich

3-Chloro-5-fluoroanisole

97%

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Properties

Related Categories Aryl Fluorinated Building Blocks, Building Blocks, C2 to C7, C7, Chemical Synthesis,
Quality Level   100
assay   97%
refractive index   n20/D 1.511 (lit.)
bp   189 °C (lit.)
density   1.265 g/mL at 25 °C (lit.)
SMILES string   COc1cc(F)cc(Cl)c1
InChI   1S/C7H6ClFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChI key   XPZBNEWAZPZUHF-UHFFFAOYSA-N

Description

General description

3-Chloro-5-fluoroanisole is also referred to as 1-chloro-3-fluoro-5-methoxybenzene (IUPAC name). Two rotational isomeric forms, i.e. cis and trans forms of 3-chloro-5-fluoroanisole (1-chloro-3-fluoro-5-methoxybenzene) have been identified by ab initio and density functional theory (DFT) calculations.

Packaging

10 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Target organs 
Respiratory system
WGK Germany 
WGK 3
Flash Point(F) 
174.9 °F - closed cup
Flash Point(C) 
79.4 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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