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ChemicalBook--->CAS DataBase List--->653-37-2

653-37-2

653-37-2 Structure

653-37-2 Structure
IdentificationMore
[Name]

PENTAFLUOROBENZALDEHYDE
[CAS]

653-37-2
[Synonyms]

2,3,4,5,6-PENTAFLUOROBENZALDEHYDE
PENTAFLUOROBENZALDEHYDE
PERFLUOROBENZALDEHYDE
Benzaldehyde, 2,3,4,5,6-pentafluoro-
Benzaldehyde, pentafluoro-
Pentafluorobenzaldehyde, 98+%
Pentafluorobenzaldehyde 98%
PENTAFLUOROBENZALDEHYDE , COLORLESS SOLID
PENTAFLUORBENZALDEHYDE
[EINECS(EC#)]

211-502-6
[Molecular Formula]

C7HF5O
[MDL Number]

MFCD00003303
[Molecular Weight]

196.07
[MOL File]

653-37-2.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOWISH LIQUID AFTER MELTING
[Melting point ]

24-28 °C(lit.)
[Boiling point ]

164-166 °C(lit.)
[density ]

1.588 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.45(lit.)
[Fp ]

172 °F
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

Liquid After Melting
[color ]

Clear yellow
[Specific Gravity]

1.588
[Water Solubility ]

Sparingly Soluble in water (0.027 g/L at 25°C).
[Sensitive ]

Air Sensitive
[BRN ]

1876550
[InChI]

InChI=1S/C7HF5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h1H
[InChIKey]

QJXCFMJTJYCLFG-UHFFFAOYSA-N
[SMILES]

C(=O)C1=C(F)C(F)=C(F)C(F)=C1F
[CAS DataBase Reference]

653-37-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,F,Xi
[Risk Statements ]

R20/22:Harmful by inhalation and if swallowed .
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 .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

CU7542000
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29130000
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOWISH LIQUID AFTER MELTING
[Uses]

Pentafluorobenzaldehyde was used as derivatization reagent in a study to develop a sensitive method for the determination of primary amines in sewage sludge by headspace solid-phase micro extraction and gas chromatography-tandem mass spectrometry. It was used in the synthesis of novel, high molecular weight fluorinated aromatic polymers.
[Preparation]

Pentafluorobenzaldehyde is prepared by the reaction ofpentafluorophenylmagnesium bromide, iodide or chloride, or of pentafluorophenyllithium with ethyl-ortho-formiate or 3,4-dihydro-6-methyl-3-(para-tolyl)-quinazoline methiodide. Higher yields of pentafluorobenza1dehyde have been obtained by the reaction with N-methy1formanilide. Pentafluorobenzaldehyde may be prepared also by the reaction of pentafluorobenzonitrile with anhydrous SnClz in ethereal solution of HCl with subsequent hydrolsis of the intermediate (62% yield).
[General Description]

2,3,4,5,6-Pentafluorobenzaldehyde reacts with 5-(aryl)dipyrromethanes to form a variety of meso-aryl [26]hexaphyrins.
[Precautions]

Pentafluorobenzaldehyde is oxidized when exposed to light and air. It should be kept in a tightly stopped dark container. Pentafluorobenzaldehyde is about ten times as toxic as benzaldehyde, therefore it should be handled with caution.
Spectrum DetailBack Directory
[Spectrum Detail]

Pentafluorobenzaldehyde(653-37-2)MS
Pentafluorobenzaldehyde(653-37-2)1HNMR
Pentafluorobenzaldehyde(653-37-2)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Pentafluorobenzaldehyde, 98%(653-37-2)
[Alfa Aesar]

Pentafluorobenzaldehyde, 98+%(653-37-2)
[Sigma Aldrich]

653-37-2(sigmaaldrich)
[TCI AMERICA]

Pentafluorobenzaldehyde,>96.0%(GC)(653-37-2)
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