ChemicalBook--->CAS DataBase List--->830346-46-8

830346-46-8

830346-46-8 Structure

830346-46-8 Structure
IdentificationBack Directory
[Name]

1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA
[CAS]

830346-46-8
[Synonyms]

Eelagolix-2
Elagolix Impurity 2
Elagolix Impurity 14
elagolix intermediate 3
1-2-Fluoro-6-trifluoromethylbenzyl urea
(2-Fluoro-6-trifluoromethyl-benzyl)-urea
N-[2-fluoro-6-(trifluoromethyl)benzy]urea
1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA
1-(2-fluoro-6-(trifluoromethyl)benzyl)urea
N-[2-Fluoro-6-(trifluoromethyl)benzyl]urea
{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}urea
N-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]urea
Urea,N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-
[Molecular Formula]

C9H8F4N2O
[MDL Number]

MFCD12546644
[MOL File]

830346-46-8.mol
[Molecular Weight]

236.17
Chemical PropertiesBack Directory
[Boiling point ]

268.8±40.0 °C(Predicted)
[density ]

1.392±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

12.86±0.46(Predicted)
[InChI]

InChI=1S/C9H8F4N2O/c10-7-3-1-2-6(9(11,12)13)5(7)4-15-8(14)16/h1-3H,4H2,(H3,14,15,16)
[InChIKey]

NLKRQVSNIXWLBR-UHFFFAOYSA-N
[SMILES]

N(CC1=C(C(F)(F)F)C=CC=C1F)C(N)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development and chemical production processes.
[Synthesis]

Synthesis_830346-46-8
In a 250 ml three-necked flask, 3.4 g of E6, 20 ml of water, 4.23 g of urea, and hydrochloric acid (12 mol / L, 2 ml) were added. After refluxing for 3 hours, the reaction solution was cooled to 4 ?? C with an ice water bath, and filtered to obtain 3.78 g of a white solid ( Yield: 91%).
Spectrum DetailBack Directory
[Spectrum Detail]

1-(2-FLUORO-6-(TRIFLOROMETHYL)BENZYL)UREA(830346-46-8)1HNMR
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