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CAS No.: | 40248-34-8 |
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Name: | 6-(TRIFLUOROACETYLAMINO)-1-HEXANOL |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C8H14F3NO2 |
Molecular Weight: | 213.2 |
Synonyms: | 6-(Trifluoroacetamido)-1-hexanol;6-(Trifluoroacetamido)hexanol;6-(Trifluoroacetylamino)-1-hexanol;6-[(Trifluoroacetyl)amino]hexanol;N-(Trifluoroacetyl)-6-amino-1-hexanol;N-(Trifluoroacetyl)hexanolamine;2,2,2-Trifluoro-N-(6-hydroxyhexyl)acetamide; |
Density: | 1.181 g/cm3 |
Melting Point: | 46-49 °C |
Boiling Point: | 288.7 °C at 760 mmHg |
Flash Point: | 128.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 49.33000 |
LogP: | 1.60850 |
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The Acetamide,2,2,2-trifluoro-N-(6-hydroxyhexyl)-, with the CAS registry number 40248-34-8, is also known as 6-(Trifluoroacetylamino)-1-hexanol. This chemical's molecular formula is C8H14F3NO2 and molecular weight is 213.2. What's more, its systematic name is 2,2,2-Trifluoro-N-(6-hydroxyhexyl)acetamide.
Physical properties of Acetamide,2,2,2-trifluoro-N-(6-hydroxyhexyl)- are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.41; (6)ACD/BCF (pH 7.4): 2.41; (7)ACD/KOC (pH 5.5): 65.41; (8)ACD/KOC (pH 7.4): 65.4; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.41; (14)Molar Refractivity: 44.72 cm3; (15)Molar Volume: 180.4 cm3; (16)Polarizability: 17.73×10-24 cm3; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 128.4 °C; (20)Enthalpy of Vaporization: 61.26 kJ/mol; (21)Boiling Point: 288.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000256 mmHg at 25°C.
Preparation: this chemical can be prepared by 6-amino-hexan-1-ol and trifluoroacetic acid ethyl ester at room temperature. After the reaction time of 5 hours, the yield is about 70%.
Uses of Acetamide,2,2,2-trifluoro-N-(6-hydroxyhexyl)-: it can be used to produce 6-(trifluoroacetamido)hexyl 2,3,4,6-tetra-O-acetyl-a-D-mannopyranoside at the ambient temperature. It will need reagent SnCl4 and solvent CH2Cl2. The yield is about 78%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)NCCCCCCO
(2)InChI: InChI=1S/C8H14F3NO2/c9-8(10,11)7(14)12-5-3-1-2-4-6-13/h13H,1-6H2,(H,12,14)
(3)InChIKey: BGCYSPBEPMOQII-UHFFFAOYSA-N