Related Searches: 2,2,2-Trifluoroethanol, trifluoroethanol, 2,2,2-trichloroethoxy

2,2,2-Trifluoroethanol(CAS No. 75-89-8)

2,2,2-Trifluoroethanol C2H3F3O (cas 75-89-8) Molecular Structure

75-89-8 Structure

Identification and Related Records

【Name】
2,2,2-Trifluoroethanol
【CAS Registry number】
75-89-8
【Synonyms】
TFE
Trifluoroethanol
Trifluroroethyl alchohol
【EINECS(EC#)】
200-913-6
【Molecular Formula】
C2H3F3O (Products with the same molecular formula)
【Molecular Weight】
100.04
【Inchi】
InChI=1/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
【InChIKey】
RHQDFWAXVIIEBN-UHFFFAOYSA-N
【Canonical SMILES】
C(C(F)(F)F)O
【MOL File】
75-89-8.mol

Chemical and Physical Properties

【Appearance】
Colorless liquid
【Density】
1.393
【Melting Point】
-45℃
【Boiling Point】
77-80℃
【Refractive Index】
1.2907
【Flash Point】
29℃
【Water】
Misible soluble with water
【Solubilities】
Misible soluble with water
【Stability】
Stable. Flammable - note wide explosion limits. Moisture sensitive. Incompatible with strong oxidizing agents, strong acids, sodium, potassium.
【HS Code】
29055910
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:100.03983 [g/mol]
Molecular Formula:C2H3F3O
XLogP3:0.4
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:0
Exact Mass:100.013599
MonoIsotopic Mass:100.013599
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Formal Charge:0
Complexity:38.5
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R10;R20/21/22;R38;R41;R62
【Safety Statements 】
S16;S36/37/39;S45
【HazardClass】
3
【Hazard Note】

Flammable/Toxic

【Safety】

Poison by ingestion, intravenous, and intraperitoneal routes. Moderately toxic by inhalation and skin contact. Experimental reproductive effects. A severe skin and eye irritant. When heated to decomposition it emits toxic fumes of F?.
Hazard Codes:?Xn, T, F
Hazard Note: Flammable/Toxic
The Risk Statements information of?2,2,2-Trifluoroethanol (CAS NO.75-89-8):
10:? Flammable?
41:? Risk of serious damage to eyes?
62:? Possible risk of impaired fertility?
20/21/22:? Harmful by inhalation, in contact with skin and if swallowed?
37/38:? Irritating to respiratory system and skin?
36/37/38:? Irritating to eyes, respiratory system and skin?
The Safety Statements information of??2,2,2-Trifluoroethanol (CAS NO.75-89-8):
16:? Keep away from sources of ignition - No smoking?
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice?
36:? Wear suitable protective clothing?
39:? Wear eye/face protection?
45:? In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)?
36/37/39:? Wear suitable protective clothing, gloves and eye/face protection??
RIDADR: UN 1986 3/PG 3
WGK Germany: 1
RTECS: KM5250000
Hazard Note: Flammable/Toxic
HazardClass: 3
PackingGroup: III
HS Code: 29055910

【PackingGroup 】
III
【Transport】
UN 1993/1986
【Specification】

?2,2,2-Trifluoroethanol , with CAS number of 75-89-8, can be called Trifluoroethanol ; 2,2,2-Trifluoroethanol, 99.8% ; 2,2,2-Trifluoroethyl alcohol ; beta,beta,beta-Trifluoroethyl alcohol ; Trifluoro Ethanol ; Ethanol, 2,2,2-trifluoro- ; Trifluoro Ethanol(L) ; Ethanol, 2,2, 2-trifluoro- . It is a?colorless liquid.? 2,2,2-Trifluoroethanol (CAS NO.75-89-8) is used as a solvent in organic chemistry. Oxidations of sulfur compounds using hydrogen peroxide are effectively conducted in TFE. In biology TFE, it is used as a co-solvent in protein folding studies with NMR spectroscopy, this solvent can effectively solubilize both peptides and proteins.

【Report】

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

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