5-tert-Butyl-2-hydroxybenzaldehyde - CAS 2725-53-3
Catalog: |
BB019510 |
Product Name: |
5-tert-Butyl-2-hydroxybenzaldehyde |
CAS: |
2725-53-3 |
Synonyms: |
5-tert-butyl-2-hydroxybenzaldehyde |
IUPAC Name: | 5-tert-butyl-2-hydroxybenzaldehyde |
Description: | 5-tert-Butyl-2-hydroxybenzaldehyde (CAS# 2725-53-3) is a general chemical reactant/reagent used in the synthesis of Vanadium (V) amino phenolato antitumor agents. As well, its used in the synthesis of dibutyltin complexes for their cytotoxic activity. |
Molecular Weight: | 178.23 |
Molecular Formula: | C11H14O2 |
Canonical SMILES: | CC(C)(C)C1=CC(=C(C=C1)O)C=O |
InChI: | InChI=1S/C11H14O2/c1-11(2,3)9-4-5-10(13)8(6-9)7-12/h4-7,13H,1-3H3 |
InChI Key: | ZVCQQLGWGRTXGC-UHFFFAOYSA-N |
Boiling Point: | 251-252 ℃ (729 mmHg) |
Density: | 1.039 g/mL at 25 ℃ (lit.) |
Appearance: | Colorless to light yellow clear liquid |
MDL: | MFCD01321335 |
LogP: | 2.50220 |
Publication Number | Title | Priority Date |
CN-111978187-A | Synthesis method of dimethyl ethylenediamine tert-butyl phenol | 20200829 |
CN-111875610-A | Copper porphyrin catalyst and preparation and application of composite material thereof | 20200618 |
CN-111875610-B | Copper porphyrin catalyst and preparation and application of composite material thereof | 20200618 |
US-2021122891-A1 | Thermoplastic toughened matrix resins containing nanoparticles | 20191023 |
WO-2021112961-A2 | Thermoplastic toughened matrix resins containing nanoparticles | 20191023 |
PMID | Publication Date | Title | Journal |
22705612 | 20120701 | Pattern of patch test reactivity among patients with clinical diagnosis of contact dermatitis: a hospital-based study | Annals of Saudi medicine |
22486569 | 20120501 | Patch test characteristics of patients referred for suspected contact allergy of the feet--retrospective 10-year cross-sectional study of the IVDK data | Contact dermatitis |
22182485 | 20120401 | Concentration variability of potent allergens of p-tert-butylphenol-formaldehyde resin (PTBP-FR) in patch test preparations and commercially available PTBP-FR | The British journal of dermatology |
21906075 | 20111001 | Facial leucoderma following eczema: a new case induced by spectacle frames | Contact dermatitis |
21595700 | 20110701 | Multicentre patch testing with a resol resin based on phenol and formaldehyde | Contact dermatitis |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.099379685 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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