ML0002

[|JMOL view]

Compound Name: **5-chlorosalicylic acid** Common Names: IUPAC Name: 5-chloro-2-hydroxy-benzoic acid

CAS RN: 321-14-2 SMILES: Oc1ccc(Cl)cc1C(=O)O InChI=1/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11) InChIKey: NKBASRXWGAGQDP-UHFFFAOYAL

//ChemSpider Permalink:// []

Molecular Formula: C7H5ClO3 Molecular Weight (average): 172.5658 Molecular Weight (monisotopic): 171.99272 Melting point: 171-172C LogP (ACD v5.0 logD calculated): 3.42 +/-0.27 pKa (ACD v5.0 pKa calculated): 2.64 +/- 0.10 COOH,13.25 +/- 0.18(2-0H) Proton Affinity: Vapor pressure (ChemSpider predicted): 1.32E-04 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: C7090-8 (lot #: 02610CZ)

//Purification Information://

//Notes://

//References://