3,5-Dichloro-4-hydroxybenzoic acid - CAS 3336-41-2
Catalog: |
BB021686 |
Product Name: |
3,5-Dichloro-4-hydroxybenzoic acid |
CAS: |
3336-41-2 |
Synonyms: |
3,5-dichloro-4-hydroxybenzoic acid |
IUPAC Name: | 3,5-dichloro-4-hydroxybenzoic acid |
Description: | 3,5-Dichloro-4-hydroxybenzoic Acid can be used as cyclin dependent kinase inhibitors to treat cell proliferative disorders, such as, cancer. |
Molecular Weight: | 207.01 |
Molecular Formula: | C7H4Cl2O3 |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O |
InChI: | InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12) |
InChI Key: | AULKDLUOQCUNOK-UHFFFAOYSA-N |
Boiling Point: | 328.2 °C at 760 mmHg |
Melting Point: | 260-265 °C |
Purity: | 97+ % |
Density: | 1.665 g/cm3 |
Appearance: | White to light yellow crystal powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002550 |
LogP: | 2.39720 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113429308-A | Process for synthesizing diclofenac sodium | 20210616 |
CN-112500281-A | Preparation method of syringic acid | 20201207 |
CN-112430221-A | Compound for preventing, treating or relieving hyperuricemia or gout and application thereof | 20201120 |
CN-111662247-A | Synthesis method of dortinode | 20200717 |
CN-111793039-A | Preparation method of dortinode | 20200717 |
PMID | Publication Date | Title | Journal |
19177194 | 20090101 | Preparation and Characterization of a Polyclonal Antibody against Brominated Protein | Journal of clinical biochemistry and nutrition |
17323078 | 20070701 | FaGT2: a multifunctional enzyme from strawberry (Fragaria x ananassa) fruits involved in the metabolism of natural and xenobiotic compounds | Planta |
15589368 | 20050101 | Immunogenicity of a brominated protein and successive establishment of a monoclonal antibody to dihalogenated tyrosine | Free radical biology & medicine |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.9537494 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.9537494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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