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Ethanol,2-(2,2,2-trifluoroethoxy)- (2358-54-5)

Identification
Name:Ethanol,2-(2,2,2-trifluoroethoxy)-
Synonyms:2,2,2-Trifluoroethyl2-hydroxyethyl ether;2-(2,2,2-Trifluoroethoxy)ethanol;NSC 81800;
CAS:2358-54-5
Molecular Formula: C4H7F3O2
Molecular Weight: 144.0924
InChI: InChI=1/C4H7F3O2/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
Molecular Structure: (C4H7F3O2) 2,2,2-Trifluoroethyl2-hydroxyethyl ether;2-(2,2,2-Trifluoroethoxy)ethanol;NSC 81800;
Properties
Boiling Point: 84/80mm
Density:1.254 g/cm3
Refractive index:1.343
Specification:

This product is an organic compound with the formula C4H7F3O2. The systematic name of this chemical is 2-(2,2,2-trifluoroethoxy)ethanol. With the CAS registry number 2358-54-5, it is also named as Ethanol, 2-(2,2,2-trifluoroethoxy)-. The product's category is Aliphatics. And the molecular weight is 144.0924.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.343; (8)Molar Refractivity: 24.31 cm3; (9)Molar Volume: 114.8 cm3; (10)Polarizability: 9.64×10-24 cm3; (11)Surface Tension: 22.9 dyne/cm; (12)Density: 1.254 g/cm3; (13)Flash Point: 70 °C; (14)Enthalpy of Vaporization: 43.22 kJ/mol; (15)Boiling Point: 133.4 °C at 760 mmHg; (16)Vapour Pressure: 3.7 mmHg at 25°C; (17)Rotatable Bond Count: 3; (18)Exact Mass: 144.039814; (19)MonoIsotopic Mass: 144.039814; (20)Topological Polar Surface Area: 29.5; (21)Heavy Atom Count: 9; (22)Complexity: 70.7.

When you are using this chemical, please be cautious about it as the following:
The 2-(2,2,2-Trifluoroethoxy)ethanol is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)COCCO
2. InChI:InChI=1/C4H7F3O2/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
3. InChIKey:HRBLSBRWIWIOGW-UHFFFAOYAT
4. Std. InChI:InChI=1S/C4H7F3O2/c5-4(6,7)3-9-2-1-8/h8H,1-3H2
5. Std. InChIKey:HRBLSBRWIWIOGW-UHFFFAOYSA-N

Safety Data
Hazard Symbols Xi: Irritant