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29848-57-5

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29848-57-5 Structure

29848-57-5 Structure
IdentificationBack Directory
[Name]

1-(Difluoromethyl)-4-nitrobenzene
[CAS]

29848-57-5
[Synonyms]

4-Nitrobenzal fluoride
p-Nitrobenzal difluoride
4-(difluoromethyl)nitrobenzene
4-Difluoromethyl-1-nitrobenzene
1-(Difluoromethyl)-4-nitrobenzene
Benzene, 1-(difluoromethyl)-4-nitro-
[Molecular Formula]

C7H5F2NO2
[MDL Number]

MFCD16659620
[MOL File]

29848-57-5.mol
[Molecular Weight]

173.12
Chemical PropertiesBack Directory
[Boiling point ]

241℃
[density ]

1.339
[refractive index ]

1.5075
[Fp ]

112℃
[storage temp. ]

2-8°C
[form ]

liquid
[color ]

clear
[InChI]

1S/C7H5F2NO2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4,7H
[InChIKey]

RMHPWPAKPAVHTB-UHFFFAOYSA-N
[SMILES]

FC(F)c1ccc(cc1)[N+](=O)[O-]
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT-HARMFUL
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

p-Nitrobenzal Difluoride is a reagent used in the preparation of fluorine-18-labeled fluoxetine as a potential radiotracer for reuptake sites.
Spectrum DetailBack Directory
[Spectrum Detail]

1-(Difluoromethyl)-4-nitrobenzene(29848-57-5)1HNMR
1-(Difluoromethyl)-4-nitrobenzene(29848-57-5)19FNMR
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