| Identification | More | [Name]
3,5-Dichloro-4-hydroxybenzoic acid | [CAS]
3336-41-2 | [Synonyms]
3,5-DICHLORO-4-HYDROXYBENZOIC ACID
AKOS BBS-00006921
LABOTEST-BB LT00454970
RARECHEM AL BE 0933
3,5-dichloro-4-hydroxy-benzoicaci
Benzoic acid, 3,5-dichloro-4-hydroxy-
4-Hydroxy-3,5-Dichloro Benzoic Acid | [EINECS(EC#)]
222-071-9 | [Molecular Formula]
C7H4Cl2O3 | [MDL Number]
MFCD00002550 | [Molecular Weight]
207.01 | [MOL File]
3336-41-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to light yellow crystal powder | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
DG7502000
| [HS Code ]
29182900 |
| Hazard Information | Back Directory | [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 |
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