(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
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(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
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CAS No:
127852-28-2
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Formula:
C10H8F6O
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Chemical Name:
(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
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Synonyms:
Benzenemethanol,α-methyl-3,5-bis(trifluoromethyl)-,(αR)-;Benzenemethanol,α-methyl-3,5-bis(trifluoromethyl)-,(R)-;(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol;(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol;(1R)-1-[3,5-Bis(Trifluoromethyl)phenyl]ethanol;(+)-(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol;(R)-(+)-1-(3,5-Bis(trifluoromethyl)phenyl)ethanol;(R)-[3,5-Bis(trifluoromethyl)phenyl]ethanol;(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol
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CAS No:
(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol Basic Attributes
258.16
258.16
DTXSID80381243
29062990
Characteristics
20.2
3.2
1.376±0.06 g/cm3(Predicted)
53-58℃
175.8±35.0 °C(Predicted)
60.1±25.9 °C
1.418
0.746mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
26-36/37/39-61
Xi,Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory.
(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol Use and Manufacturing
(R)-[3,5-bis (trifluoromethyl) phenyl] ethanol is an important chiral intermediate for the synthesis of novel chemotherapeutic and antiemetic drugs NK-1 receptor antagonists. Antidepressants have good potential efficacy in treating a range of central and peripheral nervous system depressions.
Computed Properties
Molecular Weight:258.16
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:258.04793385
Monoisotopic Mass:258.04793385
Topological Polar Surface Area:20.2
Heavy Atom Count:17
Complexity:237
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(αR)-α-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
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