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6-TRIFLUOROMETHYLISATIN

6-TRIFLUOROMETHYLISATIN structure

CAS No:
343-69-1
Formula:
C9H4F3NO2
Chemical Name:
6-TRIFLUOROMETHYLISATIN
Synonyms:
6-fluoromethylisatin;6-TRIFLUOROMETHYLISATIN;6-(Trifluoromethyl)indoline-2,3-dione;6-(Trifluoromethyl)-1H-indole-2,3-dione;6-(trifluoroMethyl)-2,3-dihydro-1H-indole-2,3-dione
Categories:
Pharmaceutical Intermediates > Blood Products

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6-TRIFLUOROMETHYLISATIN Basic Attributes

Molecular Weight：

215.13

Exact Mass：

215.01900

EC Number：

1312995-182-4

DSSTox ID：

DTXSID50450915

HScode：

2933990090

Characteristics

PSA：

46.2

XLogP3：

1.7

Density：

1.525 g/cm3

6-TRIFLUOROMETHYLISATIN Use and Manufacturing

A stirred solution of the keto-ester (57 g, 0.158 mol) in THF (1L) and 3N HCl (250 mL) was heated to reflux for 6 hours. The mixture was allowed to cool and the THF was rotary evaporated. The resultant orange suspension was allowed to cool. The solid was filtered, washed with water and then air dried overnight to afford the desired A stirred solution of the keto-ester (57 g, 0.158 mol) in THF (1 L) and 3N HCl (250 mL) was heated to reflux for 6 hours. The mixture was allowed to cool and the THF was rotary evaporated. The resultant orange suspension was allowed to cool. The solid was filtered, washed with water and then air dried overnight to afford the desired

Computed Properties

Molecular Weight:215.13
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:215.01941286
Monoisotopic Mass:215.01941286
Topological Polar Surface Area:46.2
Heavy Atom Count:15
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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