4-CHLORO-3-(TRIFLUOROMETHOXY)BENZOIC ACID
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4-CHLORO-3-(TRIFLUOROMETHOXY)BENZOIC ACID
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CAS No:
886500-50-1
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Formula:
C8H4ClF3O3
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Chemical Name:
4-CHLORO-3-(TRIFLUOROMETHOXY)BENZOIC ACID
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Synonyms:
4-Chloro-3-(trifluoromethoxy)benzoic acid;4-Chloro-3-trifluoromethoxy-benzoic acid;SCHEMBL4283750;CTK6H1275;KS-00000HTH;DTXSID30590646;ANW-59781;MFCD06660238;SBB099315;WT2103
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CAS No:
4-CHLORO-3-(TRIFLUOROMETHOXY)BENZOIC ACID Basic Attributes
240.56
239.980103
DTXSID30590646
2918990090
Characteristics
46.5
4
1.6±0.1 g/cm3
123-126℃
276.6±35.0℃ (760 Torr)
121.1±25.9℃
1.498
Sparingly soluble in water.
4-CHLORO-3-(TRIFLUOROMETHOXY)BENZOIC ACID Use and Manufacturing
To a solution of methyl 4-chloro-3-(trifluoromethoxy)benzoate (3.1 g, 12.18 mmol) in methanol (30 mL) was added a solution of sodium hydroxide (1.46 g, 36.50 mmol) in water (10 mL) at room temperature, and the reaction mixture was stirred for 1.5 h at room temperature. The solution was adjusted to pH 4 with HC1 (36 percent). The resulting solution was extracted with ethyl acetate (3 x 100 mL) and the organic layers combined and dried over anhydrous sodium sulfate. The solids were filtered out. The resulting mixture was concentrated in vacuo to afford 4-chloro-3- (trifluoromethoxy)benzoic acid as a light yellow solid (2.10 g, 74percent). LC/MS (ES, m/z): [M+H]
Computed Properties
Molecular Weight:240.56
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:239.9801062
Monoisotopic Mass:239.9801062
Topological Polar Surface Area:46.5
Heavy Atom Count:15
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-CHLORO-3-(TRIFLUOROMETHOXY)BENZOIC ACID
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