ChemicalBook--->CAS DataBase List--->21906-39-8

21906-39-8

21906-39-8 Structure

21906-39-8 Structure
IdentificationMore
[Name]

3-(Trifluoromethyl)phenylacetone
[CAS]

21906-39-8
[Synonyms]

1-(3-(TRIFLUOROMETHYL)PHENYL)ACETONE
1-(ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLYL)-2-PROPANONE
3-(TRIFLUORMETHYL)PHENYLACETONE
3-(TRIFLUOROMETHYL)PHENYLACETONE
M-(TRIFLUOROMETHYL)PHENYLACETONE
1-(3-Trifluoromethylphenyl)-2-propanone
2-Propanone, 1-(alpha,alpha,alpha-trifluoro-m-tolyl)-
m-(Trifluoromethyl)benzyl methyl ketone
1-(alpha,alpha,alpha-trifluoro-m-tolyl)acetone
3-Trifluormethylphenyl Aceton
3-(Trifluormethyl)Phenyl
1-(α,α,α-trifluoro-m-tolyl)-2-propanone
1-[3-(Trifluoromethyl)phenyl]propan-2-one
2-Propanone, 1-[3-(trifluoromethyl)phenyl]-
1-[3-(Trifluoromethyl)phenyl]propane-2-one
3-(Trifluoromethyl)phenylacetone, 97%, may cont. up to ca 5% monohydrate
[EINECS(EC#)]

244-652-6
[Molecular Formula]

C10H9F3O
[MDL Number]

MFCD00000397
[Molecular Weight]

202.17
[MOL File]

21906-39-8.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID
[Boiling point ]

89-90 °C0.5 mm Hg(lit.)
[density ]

1.204 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.457(lit.)
[Fp ]

192 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

clear liquid
[color ]

Light yellow to Amber to Dark green
[Specific Gravity]

1.204
[InChI]

InChI=1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3
[InChIKey]

JPHQCDCEBDRIOL-UHFFFAOYSA-N
[SMILES]

C(C1=CC=CC(C(F)(F)F)=C1)C(=O)C
[CAS DataBase Reference]

21906-39-8(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Propanone, 1-[3-(trifluoromethyl)phenyl]-(21906-39-8)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[HS Code ]

29147000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-(alpha,alpha,alpha-Trifluoro-m-tolyl)-2-propanone(21906-39-8).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW LIQUID
[Uses]

3-(Trifluoromethyl)phenylacetone was used in the synthesis of:
  • (±)-[1-(3-trifluoromethyl)phenyl]-2-propylamine via reductive amination reaction
  • N-{2-[1-methyl-2-(3-trifluoromethylphenyl]}-aminoethanol
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 61, p. 1748, 1996 DOI: 10.1021/jo9518314
Synthesis, p. 474, 1977
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Trifluoromethyl)phenylacetone(21906-39-8)MS
3-(Trifluoromethyl)phenylacetone(21906-39-8)1HNMR
3-(Trifluoromethyl)phenylacetone(21906-39-8)13CNMR
3-(Trifluoromethyl)phenylacetone(21906-39-8)IR1
3-(Trifluoromethyl)phenylacetone(21906-39-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(Trifluoromethyl)phenylacetone, 97%(21906-39-8)
[Alfa Aesar]

3-(Trifluoromethyl)phenylacetone, 97%, may cont. up to ca 5% monohydrate(21906-39-8)
[Sigma Aldrich]

21906-39-8(sigmaaldrich)
[TCI AMERICA]

3-(Trifluoromethyl)phenylacetone,>95.0%(GC)(21906-39-8)
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