340-05-6

Basic information

• Product Name: 1-PHENYL-2,2,2-TRIFLUOROETHANOL
• Synonyms: (±)α-(trifluoromethyl)benzylalcohol;(R,S)-2,2,2-Trifluoro-1-phenyl-ethanol;1-Phenyl-2,2,2-trifluorethanol;Benzenemethanol,α-(trifluoromethyl)-,(±)-;α-(Trifluoromethyl)benzylalcohol;(+/-)-ALPHA-(TRIFLUOROMETHYL)BENZYLALCOHOL;ALPHA-(TRIFLUOROMETHYL)BENZYL ALCOHOL;2,2,2-TRIFLUORO-1-PHENYLETHANOL
• CAS NO: 340-05-6
• Molecular Formula: C₈H₇F₃O
• Molecular Weight: 176.14
• EINECS: 206-429-1
• Product Categories: Benzene series
• Mol File: 340-05-6.mol
• Article Data: 212

Chemical Properties

• Melting Point: 74.3-75.2 °C
• Boiling Point: 64-65 °C5 mm Hg(lit.)
• Flash Point: 184 °F
• Appearance: /liquid
• Density: 1.297 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.462
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 11.91±0.10(Predicted)
• BRN: 3197623
• CAS DataBase Reference: 1-PHENYL-2,2,2-TRIFLUOROETHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PHENYL-2,2,2-TRIFLUOROETHANOL(340-05-6)
• EPA Substance Registry System: 1-PHENYL-2,2,2-TRIFLUOROETHANOL(340-05-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 10-23
• HazardClass: IRRITANT
• Hazardous Substances Data: 340-05-6(Hazardous Substances Data)

Usage

Chemical Properties

Colorless liquid

InChI:InChI=1/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H

Upstream product

• 434-45-7 2,2,2-Trifluoroacetophenone 
• 17750-24-2 1-propyl-1,4-dihydronicotinamide 
• 287-92-3 Cyclopentane 
• 13502-54-0 1-(2',6'-Dichlorobenzyl)-1,4-dihydronicotinamide 
• 75-46-7 trifluoromethan 
• 99838-02-5 tetraoctylammonium (2-pyrrolidonide) 
• 100-52-7 benzaldehyde 
• 75-63-8 Bromotrifluoromethane 
• 2314-97-8 iodotrifluoromethane 
• 108-86-1 bromobenzene 
• 75-90-1 2,2,2-Trifluoroacetaldehyde 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 247209-14-9 1-(diethylamino)-2,2,2-trifluoroethan-1-ol 
• 445476-82-4 N,N-dimethyl-(1-phenyl-2,2,2-trifluoroethoxytrimethylsilyl)-amine 

Downstream Products

• 384-65-6 1-chloro-2,2,2-trifluoroethylbenzene 
• 434-42-4 1,1,1-trifluoro-2-bromo-2-phenylethane 
• 17659-27-7 1-benzoyloxy-1-phenyl-2,2,2-trifluoroethane 
• 100664-05-9 bis(2,2,2-trifluoroethyl) (α-trifluoromethylbenzyl) phosphate 
• 100664-09-3 Phosphoric acid bis-(2,2,3,3,4,4,4-heptafluoro-butyl) ester 2,2,2-trifluoro-1-phenyl-ethyl ester 
• 40121-55-9 1-phenyl-2,2,2-trifluoroethyl α-methoxy-α-(trifluoromethyl)phenylacetate 
• 128816-79-5 (2,2,2-trifluoroethyl)(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)(α-trifluoromethylbenzyl) phosphate 
• 135311-72-7 (S)-Cyano-fluoro-phenyl-acetic acid 2,2,2-trifluoro-1-phenyl-ethyl ester 
• 135311-72-7 1-phenyl-2,2,2-trifluoroethyl α-cyano-α-fluorophenylacetate 
• 434-45-7 2,2,2-Trifluoroacetophenone 
• 1547-69-9 meso-1,1,1,4,4,4-Hexafluor-2,3-diphenylbutandiol(2,3) 
• 79314-54-8 1,1,1-Trifluoro-2,3-diphenyl-propan-2-ol 
• 10531-50-7 (R)-2,2,2-trifluoro-1-phenylethanol 
• 81925-10-2 <2S-(2α,3aα,4α,7α,7aα)>-2,3,3a,4,5,6,7,7a-Octahydro-2-methoxy-7,8,8-trimethyl-4,7-methanobenzofuran 

Relevant articles and documents

Synthesis, Reactivity and Structural Properties of Trifluoromethylphosphoranides

Phosphoranides are interesting hypervalent species which serve as model compounds for intermediates or transition states in nucleophilic substitution reactions at trivalent phosphorus substrates. Herein, the syntheses and properties of stable trifluoromet

Formation of a hydride containing amido-zincate using pinacolborane

Amido-zincates containing hydrides are underexplored yet potentially useful complexes. Attempts to access this type of zincate through combining amido-organo zincates and pinacolborane (HBPin)viaZn-C/H-BPin exchange led instead to preferential formation of amide-BPin and/or [amide-BPin(Y)]?(Y = Ph, amide, H), when the amide is hexamethyldisilazide or 2,2,6,6-tetramethylpiperidide and the hydrocarbyl group was phenyl or ethyl. In contrast, the use of a dipyridylamide (dpa) based arylzinc complex led to Zn-C/H-BPin metathesis being the major outcome. Independent synthesis and full characterisation of two LnLi[(dpa)ZnPh2] (L = THF,n= 3; L = PMDETA,n= 1) complexes,1and3, respectively, enabled reactivity studies that demonstrated that these species display zincate type reactivity (by comparison to the lower reactivity of the neutral complex (Me-dpa)ZnPh2,4, Me-dpa = 2,2′-dipyridyl-N-methylamine). This included1performing the rapid deprotonation of 4-ethynyltoluene and also phenyl transfer to α,α,α-trifluoroacetophenone in contrast to neutral complex4. Complex1reacted with one equivalent of HBPin to give predominantly PhBPin (ca.90%) and a lithium amidophenylzincate containing a hydride unit, complex7-A, as the major zinc containing product. Complex7-Atransfers hydride to an electrophile preferentially over phenyl, indicating it reacts as a hydridozincate. Attempts to react1with >1 equivalent of HBPin or with catecholborane led to more complex outcomes, which included significant borane and dpaZn substituent scrambling, two examples of which were crystallographically characterised. While this work provides proof of principle for Zn-C/H-BPin exchange as a route to form an amido-zincate containing a hydride, amido-organozincates that undergo more selective Zn-C/H-BPin exchange still are required.

Synthesis of Unsymmetric Triarylmethanes Bearing CF 3-Substituted All-Carbon Quaternary Stereocenters: 1,6-Arylation of δ-Trifluo romethyl Substituted para -Quinone Methides

Pre-synthesized δ-CF 3-δ-aryl-disubstituted para -quinone methides bearing δ-substituents were identified as isolable and storable substrates for 1,6-arylation reactions. A broad range of electron-rich arenes and heteroarenes participated in the arylation process, furnishing a wide array of unsymmetrical CF 3-substituted triarylmethanes in high efficiency. The mild and expeditious protocol exhibited broad scopes of both arene and para -quinone methide components.