2-Hydroxy-5-methylbenzaldehyde - CAS 613-84-3
Catalog: |
BB031079 |
Product Name: |
2-Hydroxy-5-methylbenzaldehyde |
CAS: |
613-84-3 |
Synonyms: |
2-hydroxy-5-methylbenzaldehyde |
IUPAC Name: | 2-hydroxy-5-methylbenzaldehyde |
Description: | 2-Hydroxy-5-methylbenzaldehyde (CAS# 613-84-3) is used in preparation of novel 2-Phenylcyclopropanamine derivatives as Lysine-specific Demethylase 1 inhibitors (LSD1-inhibitors) for prevention or treatment of primary brain tumor. |
Molecular Weight: | 136.15 |
Molecular Formula: | C8H8O2 |
Canonical SMILES: | CC1=CC(=C(C=C1)O)C=O |
InChI: | InChI=1S/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H3 |
InChI Key: | ILEIUTCVWLYZOM-UHFFFAOYSA-N |
Boiling Point: | 217 °C |
Melting Point: | 54-57 °C |
Purity: | 95 % |
Density: | 1.175 g/cm3 |
Appearance: | Pale yellow to yellow crystalline powder |
Storage: | Keep tightly closed. Store in a cool dry place. |
MDL: | MFCD00274297 |
LogP: | 1.51310 |
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-113461841-A | Heat-resistant PVB resin and preparation method thereof | 20210702 |
CN-113321665-A | P23 small-molecule inhibitor, preparation method and application | 20210622 |
CN-113121485-A | 3-aryl coumarin derivative and preparation method and application thereof | 20210301 |
CN-112812075-A | Preparation method and application of benzothiazole Schiff base-based fluorescent probe | 20201230 |
CN-112679718-A | Catalyst for preparing polycyclohexene carbonate | 20201228 |
PMID | Publication Date | Title | Journal |
22219861 | 20111101 | Tris{2-[(furan-2-meth-yl)imino-meth-yl]-4-methyl-phenolato}cobalt(III) | Acta crystallographica. Section E, Structure reports online |
21222144 | 20110701 | Synthesis, crystal structure and luminescent properties of some Zn(II) Schiff base complexes: experimental and computational study | Journal of fluorescence |
21627838 | 20110531 | Antifungal activity of redox-active benzaldehydes that target cellular antioxidation | Annals of clinical microbiology and antimicrobials |
21522641 | 20101215 | 2-((Z)-{3-[(Z)-(2-Hy-droxy-5-methyl-benzyl-idene)amino]-2,2-dimethyl-prop-yl}imino-meth-yl)-4-methyl-phenol | Acta crystallographica. Section E, Structure reports online |
21580573 | 20100303 | 3-(2H-Benzotriazol-2-yl)-2-hydr-oxy-5-methyl-benzaldehyde | Acta crystallographica. Section E, Structure reports online |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS