CAS No.78008-15-8,3-(TRIFLUOROACETYLAMINO)-1-PROPANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78008-15-8
Name:	3-(TRIFLUOROACETYLAMINO)-1-PROPANOL
Article Data:	17

Formula:	C₅H₈F₃NO₂
Molecular Weight:	171.119
Synonyms:	2,2,2-Trifluoro-N-(3-hydroxypropyl)acetamide;N-(3-Hydroxypropyl)-2,2,2-trifluoroacetamide;3-(Trifluoroacetylamino)-1-propanol;
Density:	1.307 g/cm³
Boiling Point:	250 °C at 760 mmHg
Flash Point:	105 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	49.33000
LogP:	0.43820

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Specification

The Acetamide,2,2,2-trifluoro-N-(3-hydroxypropyl)-, with the CAS registry number 78008-15-8, is also known as 3-(Trifluoroacetylamino)-1-propanol. This chemical's molecular formula is C₅H₈F₃NO₂ and molecular weight is 171.12. What's more, its systematic name is 2,2,2-Trifluoro-N-(3-hydroxypropyl)acetamide.

Physical properties of Acetamide,2,2,2-trifluoro-N-(3-hydroxypropyl)- are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 20.65; (6)ACD/KOC (pH 7.4): 20.65; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.387; (12)Molar Refractivity: 30.82 cm³; (13)Molar Volume: 130.9 cm³; (14)Polarizability: 12.22×10^-24cm³; (15)Surface Tension: 29.2 dyne/cm; (16)Density: 1.307 g/cm³; (17)Flash Point: 105 °C; (18)Enthalpy of Vaporization: 56.61 kJ/mol; (19)Boiling Point: 250 °C at 760 mmHg; (20)Vapour Pressure: 0.00353 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-amino-propan-1-ol by heating. This reaction will need solvent dioxane with the reaction time of 3 hours and the yield is about 90%.

Acetamide,2,2,2-trifluoro-N-(3-hydroxypropyl)- can be prepared by 3-amino-propan-1-ol by heating

Uses of Acetamide,2,2,2-trifluoro-N-(3-hydroxypropyl)-: it can be used to produce toluene-4-sulfonic acid 3-(2,2,2-trifluoro-acetylamino)-propyl ester at the temperature of 0 °C. It will need reagent pyridine and solvent acetonitrile with the reaction time of 3 hours. The yield is about 63%.

Acetamide,2,2,2-trifluoro-N-(3-hydroxypropyl)- can be used to produce toluene-4-sulfonic acid 3-(2,2,2-trifluoro-acetylamino)-propyl ester at the temperature of 0 °C

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)NCCCO
(2)InChI: InChI=1S/C5H8F3NO2/c6-5(7,8)4(11)9-2-1-3-10/h10H,1-3H2,(H,9,11)
(3)InChIKey: LOTWHTFZRDJSCL-UHFFFAOYSA-N