ChemicalBook--->CAS DataBase List--->459-57-4

459-57-4

459-57-4 Structure

459-57-4 Structure
IdentificationMore
[Name]

4-Fluorobenzaldehyde
[CAS]

459-57-4
[Synonyms]

4-FLUOROBENZALDEHYDE
AKOS BBS-00003166
FLUOROBENZALDEHYDE(4-)
LABOTEST-BB LT00930357
PARA FLUOROBENZALDEHYDE
PFAD
PFBA
P-FLUOROBENZALDEHYDE
4-fluoro-benzaldehyd
Benzaldehyde, p-fluoro-
p-Fluorobenzaldehyde 4-Fluorobenzaldehyde
4-Fluorobenzaldehyde,98%
Benzaldehyde, 4-fluoro-
4-Fluorobenzaldehyde99%
4-Fluorbenzaldehyd
4-FLUORO-BENZALDEHYDE 99.5%
19) PARA FLUORO BENZALDEHYDE
P-FLUORBENZALDEHYDE
p-Fluorobenzenecarboxaldehyde
[EINECS(EC#)]

207-293-6
[Molecular Formula]

C7H5FO
[MDL Number]

MFCD00003378
[Molecular Weight]

124.11
[MOL File]

459-57-4.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to yellow liquid
[Melting point ]

-10 °C (lit.)
[Boiling point ]

181 °C/758 mmHg (lit.)
[density ]

1.157 g/mL at 25 °C(lit.)
[vapor pressure ]

19 hPa (70 °C)
[refractive index ]

n20/D 1.521(lit.)
[Fp ]

134 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform, Methanol
[form ]

Liquid
[color ]

Clear colorless to yellow
[Specific Gravity]

1.157
[Water Solubility ]

IMMISCIBLE
[Sensitive ]

Air Sensitive
[Detection Methods]

GC,NMR
[BRN ]

385857
[Stability:]

Air Sensitive
[InChI]

1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H
[InChIKey]

UOQXIWFBQSVDPP-UHFFFAOYSA-N
[SMILES]

[H]C(=O)c1ccc(F)cc1
[CAS DataBase Reference]

459-57-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzaldehyde, 4-fluoro-(459-57-4)
[EPA Substance Registry System]

459-57-4(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

Xi,F
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 1989 3/PG 3
[WGK Germany ]

2
[F ]

9-23
[Hazard Note ]

Flammable
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29130000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 2
Eye Irrit. 2
Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-Chlorobenzaldehyde-->4-Chlorotoluene-->p-Fluorotoluene
[Preparation Products]

(5-Fluoro-2-methyl-1H-inden-3-yl)acetic acid-->4-Pyrazol-1-yl-benzaldehyde-->2-[2-(4-Fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-phenylpentanamide-->4-Fluorobenzoic acid-->Rosiglitazone-->4-(1H-Imidazol-1-yl)benzaldehyde-->4-n-Propoxybenzaldehyde-->4-Fluoro-3-phenoxybenzaldehyde-->4-Fluorocinnamic acid-->3-Bromo-4-fluorobenzaldehyde-->DL-3-(4-Fluorophenyl)alanine-->6-Fluoro-1-indanone-->p-Toluenesulfinic acid-->4-Fluorostyrene-->Paroxetine Related Impurity 9-->Bis(4-fluorophenyl)-methanone-->Benzeneacetonitrile, 4-fluoro-α-hydroxy--->BMN 673
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Fluorobenzaldehyde(459-57-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to yellow liquid
[Uses]

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 pharmaceutic al compounds.
[Uses]

Usually used in the preparation of pyrazolopyridine UR-13756.
[Synthesis]

4-Fluorobenzaldehyde is produced by a commercially feasible process. The process comprises heating a mixture of fluorobenzene and a strong Lewis acid with dissolved hydrogen halide in an atmosphere of carbon monoxide at about 45 to about 100° C. and at a total pressure of about 150 psig up to the maximum pressure rating of the reactor. Formed is a reaction mass containing a Lewis acid complex of 4-fluorobenzaldehyde and at least a halobis(fluorophenyl)methane by-product. The complex is broken by quenching the reaction mass with a Lewis acid-solvating liquid to liberate 4-fluorobenzaldehyde. By-product halobis(fluorophenyl)methane is converted to di(fluorophenyl)methanol to avoid potential corrosion problems and formation of light-sensitive color bodies in the recovered 4-fluorobenzaldehyde.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluorobenzaldehyde(459-57-4)MS
4-Fluorobenzaldehyde(459-57-4)1HNMR
4-Fluorobenzaldehyde(459-57-4)13CNMR
4-Fluorobenzaldehyde(459-57-4)IR1
4-Fluorobenzaldehyde(459-57-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Fluorobenzaldehyde, 98+%(459-57-4)
[Alfa Aesar]

4-Fluorobenzaldehyde, 98%(459-57-4)
[Sigma Aldrich]

459-57-4(sigmaaldrich)
[TCI AMERICA]

4-Fluorobenzaldehyde,>97.0%(GC)(459-57-4)
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