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| | 3,5-Dichloro-4-hydroxybenzoic acid Basic information |
| Product Name: | 3,5-Dichloro-4-hydroxybenzoic acid | | Synonyms: | 3,5-dichloro-4-hydroxybenzoate;3,5-Dichloro-4-hydroxybenzoic acid,97%;3,5-Dichloro-4-hydroxybenzoic acid, 97% 5GR;3,5-dichloro-4-hydroxy-benzoicaci;Benzoic acid, 3,5-dichloro-4-hydroxy-;4-Hydroxy-3,5-Dichloro Benzoic Acid;3,5-DICHLORO-4-HYDROXYBENZOIC ACID;AKOS BBS-00006921 | | CAS: | 3336-41-2 | | MF: | C7H4Cl2O3 | | MW: | 207.01 | | EINECS: | 222-071-9 | | Product Categories: | Building Blocks;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Carboxylic Acids;Phenyls & Phenyl-Het;Benzoic acid;Carboxylic Acids;Phenyls & Phenyl-Het;C7;Carbonyl Compounds;Acids & Esters;Chlorine Compounds;Phenols | | Mol File: | 3336-41-2.mol |  |
| | 3,5-Dichloro-4-hydroxybenzoic acid Chemical Properties |
| Melting point | 264-266 °C (lit.) | | Boiling point | 297.29°C (rough estimate) | | density | 1.5281 (rough estimate) | | refractive index | 1.4845 (estimate) | | storage temp. | Inert atmosphere,Room Temperature | | solubility | DMSO (Slightly), Methanol (Slightly) | | form | Solid | | pka | 3.83±0.10(Predicted) | | color | White to Off-White | | BRN | 2616297 | | InChI | InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12) | | InChIKey | AULKDLUOQCUNOK-UHFFFAOYSA-N | | SMILES | C(O)(=O)C1=CC(Cl)=C(O)C(Cl)=C1 | | CAS DataBase Reference | 3336-41-2(CAS DataBase Reference) | | NIST Chemistry Reference | 3,5-Dichloro-4-hydroxybenzoic acid(3336-41-2) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-37/39 | | WGK Germany | 3 | | RTECS | DG7502000 | | HS Code | 29182900 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3,5-Dichloro-4-hydroxybenzoic acid Usage And Synthesis |
| Chemical Properties | White to light yellow crystal powder | | Uses | 3,5-Dichloro-4-hydroxybenzoic Acid can be used as cyclin dependent kinase inhibitors to treat cell proliferative disorders, such as, cancer. | | Definition | ChEBI: 3,5-dichloro-4-hydroxybenzoic acid is a derivative of p-salicylic acid with chloro- substituents at C-3 and C-5 of the benzene ring. It is a monohydroxybenzoic acid and a dichlorobenzene. It is functionally related to a benzoic acid and a 4-hydroxybenzoic acid. It is a conjugate acid of a 3,5-dichloro-4-hydroxybenzoate. | | Synthesis | The general procedure for the synthesis of 3,5-dichloro-4-hydroxybenzoic acid from 4-hydroxybenzoic acid was as follows: 10 mL of 33% hydrogen peroxide solution was slowly added to a suspension of 10 mL hydrochloric acid and 20 mL water containing 3.5 g (0.025 mol) of 4-hydroxybenzoic acid. Upon completion of the reaction, the resulting white precipitate was collected by filtration, washed well with hot water and purified by recrystallization from ethanol. Finally, 3.19 g of white crystalline product was obtained in 63.5% yield with a melting point of 265 °C. The 1H NMR spectral data of the product was as follows (ppm): 7.84 (s, 2H, H2,6). Elemental analysis results: measured values (%) C 40.64, H 1.87, Cl 34.34; calculated values (%) C 40.58, H 1.93, Cl 34.30 (molecular formula: C7H4Cl2O2). | | References | [1] Organic Process Research and Development, 1999, vol. 3, # 1, p. 10 - 16
[2] Russian Journal of General Chemistry, 2015, vol. 85, # 3, p. 577 - 583
[3] Zh. Obshch. Khim., 2015, vol. 85, # 3, p. 413 - 419,7
[4] Zhurnal Obshchei Khimii, 1949, vol. 19, p. 1167,1168
[5] Chem. Zentralbl., 1950, vol. 121, p. 1063 |
| | 3,5-Dichloro-4-hydroxybenzoic acid Preparation Products And Raw materials |
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