ML0003

[|JMOL view]

Compound Name: **5-bromosalicylic acid** Common Names: IUPAC Name: 5-bromo-2-hydroxy-benzoic acid

CAS RN: 89-55-4 SMILES: Oc1ccc(Br)cc1C(=O)O InChI=1/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11) InChIKey: IEJOONSLOGAXNO-UHFFFAOYAC

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Molecular Formula: C7H5BrO3 Molecular Weight (average): 217.0168 Molecular Weight (monisotopic): 215.94219 Melting point: 159-162C LogP (ACD v5.0 logD calculated): 3.11 +/-0.35 pKa (ACD v5.0 pKa calculated): 2.61 +/- 0.10 (COOH),13.12 +/- 0.18(2-0H) Proton Affinity: Vapor pressure (ChemSpider predicted): 3.93E-05 mmHg at 25°C

//Spectral Information:// [|IR spectrum] ATR 1cm-1 resolution [|UV spectrum] 1 nm resolution in methanol [|UV spectrum] 1 nm resolution in acetonitrile [|SS-UV spectrum]1 nm resolution solid state diffuse reflectance measurement [|355nm MALDI Spectrum] 355nm Negative ion spectrum acquired on a Bruker Autoflex III [|355nm MALDI Spectrum] 355nm Positive ion spectrum acquired on a Bruker Autoflex III

//Sample Info:// Aldrich 98% PN: 14288-3 (lot #: 01630LF)

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