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CAS No.: | 2968-33-4 |
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Name: | 3,3,3-TRIFLUOROPROPYLAMINE HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C3H6F3N.HCl |
Molecular Weight: | 149.543 |
Synonyms: | 1-Propanamine,3,3,3-trifluoro-, hydrochloride (9CI);Propylamine, 3,3,3-trifluoro-,hydrochloride (7CI,8CI);3,3,3-Trifluoro-1-propanamine hydrochloride;3,3,3-Trifluoropropylamine hydrochloride;3,3,3-Trifluoropropylaminemonohydrochloride; |
Density: | 5.2 |
Melting Point: | 222-223 °C |
Boiling Point: | 30.6 °C at 760 mmHg |
Flash Point: | 8.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22 |
Safety: | 36/37/39 |
PSA: | 26.02000 |
LogP: | 2.39980 |
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The 3,3,3-Trifluoropropan-1-amine hydrochloride is an organic compound with the formula C3H6F3N.HCl. The systematic name of this chemical is 3,3,3-trifluoropropan-1-aminium chloride. With the CAS registry number 2968-33-4, it is also named as Trifluoropropylamine hydrochloride.
Physical properties about 3,3,3-Trifluoropropan-1-amine hydrochloride are: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 5.5): -2.03; (3)ACD/LogD (pH 7.4): -0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 6.49; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Flash Point: 8.7 °C; (12)Enthalpy of Vaporization: 27.62 kJ/mol; (13)Boiling Point: 30.6 °C at 760 mmHg; (14)Vapour Pressure: 616 mmHg at 25°C.
Preparation: this chemical can be prepared by N-(3,3,3-trifluoro-propyl)-phthalimide. This reaction will need reagent NaBH4, AcOH and solvent propan-2-ol, H2O. The yield is about 80%.
Uses of 3,3,3-Trifluoropropan-1-amine hydrochloride: it can be used to produce 3-fluoromethyl-1-oxo-1,2,3,4-tetrahydro-isoquinoline-7-sulfonic acid (3,3,3-trifluoro-propyl)-amide. It will need reagent aq. Na2CO3, pyridine and solvent ethyl acetate with reaction time of 4 hours. The yield is about 39%.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].FC(F)(F)CC[NH3+]
(2)InChI: InChI=1/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
(3)InChIKey: IGOPOYHPIKTQSS-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C3H6F3N.ClH/c4-3(5,6)1-2-7;/h1-2,7H2;1H
(5)Std. InChIKey: IGOPOYHPIKTQSS-UHFFFAOYSA-N