Molecular Structure of 1-Methoxy-2,2,2-trifluoroethanol (CAS NO.431-46-9):
IUPAC: 2,2,2-Trifluoro-1-methoxy-ethanol
Molecular Formula:C3H5F3O2
Molecular Weight:130.07
EINECS:207-072-4
Density:1.36 g/cm3
Flash Point:24.1oC
Boiling Point:43oC at 760 mmHg
SMILES:FC(F)(F)C(O)OC
InChI:InChI=1/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKey:GWTBCUWZAVMAQV-UHFFFAOYAC
Refractive index:1.33
Molar Volume:98.6 cm3
Surface Tension: 20 dyne/cm
Molar Refractivity:19.64 cm3
Enthalpy of Vaporization:33.48 kJ/mol
Vapour Pressure:336 mmHg at 25oC
1. | orl-mus LD50:750 mg/kg | JMCMAR Journal of Medicinal Chemistry. 13 (1970),1212. | ||
2. | ipr-mus LD50:550 mg/kg | JMCMAR Journal of Medicinal Chemistry. 13 (1970),1212. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of F−.
Safty informations about 1-Methoxy-2,2,2-trifluoroethanol (CAS NO.431-46-9):
Hazard Codes:T,F
Risk Statements:10-20/21/22
R10:Flammable.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements:16-26-36/37/39
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR:1993
RTECS:KL6600000
Hazard Note:Toxic
TSCA:T
HazardClass:3
PackingGroup:III
1-Methoxy-2,2,2-trifluoroethanol with cas registry number of 431-46-9 is also known as 1-Methoxy-2,2,2-trifluoro-ethano ; 1-Methoxy-2,2,2-trifluoroethanol ; 2,2,2-Trifluoro-1-methoxy-ethano ; Fluoralmethylhemiacetal ; Fluoral hemimethylacetal ; Trifuoroacetaldehyde hemimethylacetal ; Trifluoroacetaldehyde hemimethyl acetal ; Trifluoroacetaldehyde methyl hemiacetal . It is an alternative to gaseous unstable trifluoroacetaldehyde. It is used to prepare a-trifluoromethylated alcohols for antifungals, antitumor, and chemotherapeutic agents and as a building block in the synthesis of fluorinated molecules.
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