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93919-56-3

93919-56-3 Structure

93919-56-3 Structure
IdentificationMore
[Name]

4-(TRIFLUOROMETHOXY)BENZYLAMINE
[CAS]

93919-56-3
[Synonyms]

1-[4-(TRIFLUOROMETHOXY)PHENYL]METHANAMINE
4-(TRIFLUOROMETHOXY)BENZYLAMINE
P-TRIFLUOROMETHOXYBENZYL AMINE
RARECHEM AL BW 0449
4-(Trifluoromethoxy)benzylamine 97%
4-(Trifluoromethoxy)benzylamine97%
4-(Trifluoromethoxy)benzenemethanamine
[EINECS(EC#)]

300-040-1
[Molecular Formula]

C8H8F3NO
[MDL Number]

MFCD00061237
[Molecular Weight]

191.15
[MOL File]

93919-56-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Boiling point ]

57-60 °C10 mm Hg(lit.)
[density ]

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

n20/D 1.452(lit.)
[Fp ]

172 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

Liquid
[pka]

8.75±0.10(Predicted)
[color ]

Clear colorless to light yellow
[Specific Gravity]

1.252
[Sensitive ]

Air Sensitive
[BRN ]

8200624
[InChI]

1S/C8H8F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4H,5,12H2
[InChIKey]

DBGROTRFYBSUTR-UHFFFAOYSA-N
[SMILES]

NCc1ccc(OC(F)(F)F)cc1
[CAS DataBase Reference]

93919-56-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi,C
[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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN2735
[WGK Germany ]

3
[Hazard Note ]

Corrosive
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29222990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

4-(Trifluoromethoxy)benzylamine may be used in chemical synthesis.
[Synthesis]

4-(Trifluoromethoxy)benzonitrile

332-25-2

4-(TRIFLUOROMETHOXY)BENZYLAMINE

93919-56-3

A tetrahydrofuran (30 mL) solution of 4-(trifluoromethoxy)benzyl cyanide (5.0 g, 26.72 mmol) was slowly added dropwise to a tetrahydrofuran (30 mL) solution of lithium aluminum tetrahydroxide (3.0 g, 88.44 mmol) at 0 °C. After the dropwise addition was completed, the reaction mixture was warmed to room temperature and stirred for 3 hours. Upon completion of the reaction, the mixture was cooled to 4 °C and diluted with tetrahydrofuran (50 mL). Subsequently, the reaction was quenched by sequentially adding water (3 mL), 15% sodium hydroxide solution (3 mL) and water (3 mL). After quenching, the mixture was stirred at room temperature for 15 minutes. The mixture was filtered through diatomaceous earth and the filtrate was dried with anhydrous magnesium sulfate. Finally, the filtrate was concentrated under reduced pressure to give 4-(trifluoromethoxy)benzylamine (3.1 g, 61% yield).

[References]

[1] Patent: WO2017/139414, 2017, A1. Location in patent: Paragraph 00215-00216
Spectrum DetailBack Directory
[Spectrum Detail]

4-(TRIFLUOROMETHOXY)BENZYLAMINE(93919-56-3)1HNMR
4-(TRIFLUOROMETHOXY)BENZYLAMINE(93919-56-3)IR
4-(TRIFLUOROMETHOXY)BENZYLAMINE(93919-56-3)FT-IR
4-(TRIFLUOROMETHOXY)BENZYLAMINE(93919-56-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-(Trifluoromethoxy)benzylamine, 97%(93919-56-3)
[Alfa Aesar]

4-(Trifluoromethoxy)benzylamine, 97%(93919-56-3)
[Sigma Aldrich]

93919-56-3(sigmaaldrich)
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