3,5-Bis(trifluoromethyl)benzylamine
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3,5-Bis(trifluoromethyl)benzylamine
structure -
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CAS No:
85068-29-7
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Formula:
C9H7F6N
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Chemical Name:
3,5-Bis(trifluoromethyl)benzylamine
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Synonyms:
Benzenemethanamine,3,5-bis(trifluoromethyl)-;3,5-Bis(trifluoromethyl)benzenemethanamine;3,5-Bis(trifluoromethyl)benzylamine;[[3,5-Bis(trifluoromethyl)phenyl]methyl]amine;[3,5-Bis(trifluoromethyl)phenyl]methanamine
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CAS No:
3,5-Bis(trifluoromethyl)benzylamine Basic Attributes
243.15
243.15
7209267
285-290-9
DTXSID70234133
2921499090
Characteristics
26
2.5
White to beige Crystalline Mass, Powder, Crystals and/or Chunks
1.4±0.1 g/cm3
50-55 °C(lit.)
82-84 °C (15 mmHg)
173 °F
1.420
Safety Information
Ⅱ
8
UN 3259 8/PG 2
3
34-21/22
26-36/37/39-45
C
Corrosive
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 47 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified
3,5-Bis(trifluoromethyl)benzylamine Use and Manufacturing
Into a 300-mL autoclave, were charged 145.3 g (0.60 mol) of 3, 5-bis(trifluoromethyl)benzaldehyde obtained in the same manner as in Example 5, 60 mL of a cooled ethanol solution containing 10.3 g (0.60 mol) of liquid ammonia and 2 g of Raney nickel. The mixture was heated to 40°C while stirring under a hydrogen pressure (9 MPa) to proceed the reaction for one hour. The reaction was continued at 70°C for 30 min and then the reaction product solution was discharged. After removing the catalyst by filtration, the reaction solution was analyzed by gas chromatography. It was confirmed that 128.9 g (0.53 mol) of the aimed 3, 5-bis(trifluoromethyl)benzylamine was produced (yield: 89percent; selectivity: 93percent). By vacuum distillation, 124.0 g (0.51 mol) of 3, 5-bis(trifluoromethyl)benzylamine was isolated (yield: 85percent). The purity determined by gas chromatography was 99percent or higher. The results of ICP total elements analysis showed that none of Li, Na, K, Mg, Ca, Sr, Ba, Sc, Y, Ti, Zr, V, Nb, Cr, Mo, W, Mn, Fe, Ru, Co, Rh, Ni, Pd, Pt, Cu, Ag, Au, Zn, Cd, Al, In, Si, Sn, Pb, P, Sb and S were detected, and the content of each of group 1 and group 2 elements was 1 ppm or lower.The second step
Computed Properties
Molecular Weight:243.15
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:243.04826820
Monoisotopic Mass:243.04826820
Topological Polar Surface Area:26
Heavy Atom Count:16
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,5-Bis(trifluoromethyl)benzylamine
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