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CAS No.: | 886050-51-7 |
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Name: | 2-(TRIFLUOROMETHOXY)ETHYLAMINE, HYDROCHLORIDE |
Molecular Structure: | |
Formula: | C3H7ClF3NO |
Molecular Weight: | 165.543 |
Synonyms: | 2-(Trifluoromethoxy)ethanamine hydrochloride (1:1);Ethanamine, 2-(trifluoromethoxy)-, hydrochloride (1:1); |
Melting Point: | 189-191 °C |
Boiling Point: | 105.5 °C at 760 mmHg |
Flash Point: | 17.6 °C |
PSA: | 35.25000 |
LogP: | 1.98380 |
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The 2-(Trifluoromethoxy)ethylamine hydrochloride with CAS registry number of 886050-51-7 is also known as Ethanamine, 2-(trifluoromethoxy)-, hydrochloride (1:1). The IUPAC name and product name are the same. In addition, the formula is C3H7ClF3NO and the molecular weight is 165.54.
Physical properties about 2-(Trifluoromethoxy)ethylamine hydrochloride are: (1)ACD/LogP: 0.79; (2)ACD/LogD (pH 7.4): 0.51 ; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Flash Point: 17.6 °C; (7)Enthalpy of Vaporization: 35.16 kJ/mol; (8)Boiling Point: 105.5 °C at 760 mmHg; (9)Vapour Pressure: 27.2 mmHg at 25 °C.
Preparation of 2-(Trifluoromethoxy)ethylamine hydrochloride: it is prepared by reaction of 2-(2-trifluoromethoxy-ethyl)-isoindole-1,3-dione. The reaction needs reagents hydrazine hydrate, aq. HCl and solvent methanol with other condition of heating for 3 hours in two steps. The yield is about 70%.
You can still convert the following datas into molecular structure:
1. SMILES: Cl.FC(F)(F)OCCN
2. InChI: InChI=1/C3H6F3NO.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H
3. InChIKey: PKYWPFQIIQKHCB-UHFFFAOYAE
4. Std. InChI: InChI=1S/C3H6F3NO.ClH/c4-3(5,6)8-2-1-7;/h1-2,7H2;1H
5. Std. InChIKey: PKYWPFQIIQKHCB-UHFFFAOYSA-N