4-Fluorobenzaldehyde

CAS No. 459-57-4

Formula: C7H5FO
Basic Info

4-Fluorobenzaldehyde is a fluorinated benzaldehyde with inhibitory activity of mushroom tyrosinase. 4-Fluorobenzaldehyde is commonly used as a synthetic intermediate in the preparation of pharmaceutical compounds.

Formula
C7H5FO
Molecular Weight
124.112
Exact Mass
124.032
LogP
1.6382
PSA
17.07
Synonyms

P-FLUORBENZALDEHYDE

p-Fluoro benzaldehyde

p-Fluorobenzaldehyde

p-Fluoro benzaldehyd

4-fluoro-benzaldehyd

para-fluorobenzaldehyde

para-fluorobenzadehyde

Benzaldehyde, 4-fluoro-

4-Fluorbenzaldehyd

PFAD

4-fluoro-benzaldehyde

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Properties
Appearance & Physical State
Clear very slight yellow liquid.
Density
1.157
Boiling Point
181ºC (758 mmHg)
Melting Point
-10ºC
Flash Point
56ºC
Refractive Index
1.5195-1.5215
Water Solubility
IMMISCIBLE
Stability
Stable under normal temperatures and pressures.
Storage Condition
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.
Vapor Pressure
3.51mmHg at 25°C
Safety Info
Safety Statements
S26-S37/39
WGK Germany
2
Risk Statements
R36/37/38
HS Code
2913000090
RIDADR
UN 1989 3/PG 3
Hazard Class
3.2
Packing Group
III
Caution Statement
P261; P305 + P351 + P338
Hazard Codes
Hazard Declaration
Caution Statement
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass
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Raman Spectrum Raman : 4880 A,200 M,liquid
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Analysis Methods
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
OV-101
Retention index
942.5
Temperature Control
140.
Method
isothermal
Comments
N2, Chromosorb G HP; Column length: 5. m
Reference
Righezza, M.Hassani, A.Meklati, B.Y.Chrétien, J.R.Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatographyJ. Chromatogr. A1996, 723, 1, 77-91.
Kovats' RI, non-polar column, isothermal
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Column Shape
Packed
Active Phase(℃)
OV-101
Retention index
948.3
Temperature Control
160.
Method
isothermal
Comments
N2, Chromosorb G HP; Column length: 5. m
Reference
Hassani, A.Meklati, B.Y.Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phasesChromatographia1992, 33, 5/6, 267-271.
Normal alkane RI, non-polar column, custom temperature program
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Column Shape
Capillary
Active Phase(℃)
OV-101
Retention index
936.
Temperature Control
Method
custom temperature program
Comments
Program: not specified
Reference
Ebrahimi, P.Hadjmohammadi, M.R.Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANNQSAR Comb. Sci.2006, 25, 10, 836-845.

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