3,5-Dibromobenzeneacetic acid
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3,5-Dibromobenzeneacetic acid
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CAS No:
188347-49-1
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Formula:
C8H6Br2O2
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Chemical Name:
3,5-Dibromobenzeneacetic acid
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Synonyms:
Benzeneacetic acid,3,5-dibromo-;3,5-Dibromobenzeneacetic acid;3,5-Dibromophenylacetic acid;2-(3,5-Dibromophenyl)acetic acid
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CAS No:
3,5-Dibromobenzeneacetic acid Use and Manufacturing
3, 5-Dibromobenzylic acid (6.9 g, 23.6 [MMOL)] is dissolved in [MEOH] (150 ml) and stirred at [0XB0;C.] While stirring, conc. [H2SO4] (21.5 [ML)] is added dropwise, and the mixture is then heated under reflux for 3 h. After concentration in vacuo, the resulting residue is dissolved in [CH2C12] (150 ml) and extracted with half-concentrated aqueous NaCl solution (2 [X] 50 [ML).] The organic phase is dried over [MGS04, ] filtered and concentrated in vacuo. The title compound (7.19 g) is obtained as colorless crystals. TLC [PE/EA (8.5 : 1.5)], Rf= 0. 71. [MS : CALC.] : [C8H802BR2] (308.0), found: [M+] 308.0
Computed Properties
Molecular Weight:293.94
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:293.87141
Monoisotopic Mass:291.87345
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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