4-(Trifluoromethyl)phenol
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4-(Trifluoromethyl)phenol
structure -
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CAS No:
402-45-9
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Formula:
C7H5F3O
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Chemical Name:
4-(Trifluoromethyl)phenol
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Synonyms:
Phenol,4-(trifluoromethyl)-;p-Cresol,α,α,α-trifluoro-;4-(Trifluoromethyl)phenol;p-Trifluoromethylphenol;p-Hydroxybenzotrifluoride;α,α,α-Trifluoro-p-cresol;α,α,α-Trifluoro-4-cresol;4-Hydroxybenzotrifluoride;NSC 88303
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CAS No:
Description
White to yellowish-brown crystals
4-(trifluoromethyl)phenol is a member of the class of (trifluoromethyl)benzenes that is p-cresol in which the methyl group is perfluorinated. It is a metabolite of the drug fluoxetine. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of phenols and a member of (trifluoromethyl)benzenes. It derives from a (trifluoromethyl)benzene and a p-cresol.
4-(Trifluoromethyl)phenol Basic Attributes
162.11
162.11
206-945-7
G8PMO13PO4
88303
DTXSID2075392
29081000
Characteristics
20.2
2.8
White to yellow-brown Crystals
1.3±0.1 g/cm3
46 °C
50 °C @ Press: 2 Torr
183 °F
1.458
0-6°C
0.506mmHg at 25°C
Safety Information
Ⅱ
UN 2926 4.1/PG 2
3
22-37/38-41-36/37/38
26-39-24/25
Xn,Xi
Irritant/Keep Cold
P210-P261-P280-P301 + P310-P305 + P351 + P338
H228-H301-H315-H318-H335
Drug Information
P-Trifluoromethyl phenol is a known human metabolite of (r)-fluoxetine, (s)-fluoxetine, and Fluoxetine.
4-trifluoromethylphenol
Computed Properties
Molecular Weight:162.11
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:162.02924926
Monoisotopic Mass:162.02924926
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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