2,4,5-Trihydroxybenzaldehyde - CAS 35094-87-2
Catalog: |
BB022423 |
Product Name: |
2,4,5-Trihydroxybenzaldehyde |
CAS: |
35094-87-2 |
Synonyms: |
Benzaldehyde, 2,4,5-trihydroxy-; 4,5-Dihydroxysalicylaldehyde |
IUPAC Name: | 2,4,5-trihydroxybenzaldehyde |
Description: | 2,4,5-Trihydroxybenzaldehyde (CAS# 35094-87-2) is a useful reactant for the preparation of bis-indolylmethanes as a potential for β-glucuronidase inhibitors. |
Molecular Weight: | 154.12 |
Molecular Formula: | C7H6O4 |
Canonical SMILES: | C1=C(C(=CC(=C1O)O)O)C=O |
InChI: | InChI=1S/C7H6O4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-3,9-11H |
InChI Key: | WNCNWLVQSHZVKV-UHFFFAOYSA-N |
Boiling Point: | 378.4±22.0°C at 760 mmHg |
Melting Point: | 229-230°C |
Purity: | 95% |
Density: | 1.598±0.06 g/cm3 |
Appearance: | Yellow to brown or khaki crystalline powder |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00016592 |
LogP: | 0.61590 |
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-112979939-A | Multi-arm polyethylene glycol-based polyphenolic compound and preparation and application methods of coating of multi-arm polyethylene glycol-based polyphenolic compound | 20210223 |
DE-102019218788-A1 | Multi-tonal hair coloring process in three steps | 20191203 |
WO-2021110306-A1 | Multi-tone hair dyeing method in three steps | 20191203 |
US-2021032407-A1 | Work time to walk-on time ratio by adding a phenolic catalyst to polyaspartic flooring formulations | 20190731 |
WO-2021021801-A1 | Improved work time to walk-on time ratio by adding a phenolic catalyst to polyaspartic flooring formulations | 20190731 |
PMID | Publication Date | Title | Journal |
22629340 | 20120101 | Actin- and dynamin-dependent maturation of bulk endocytosis restores neurotransmission following synaptic depletion | PloS one |
21337646 | 20110501 | Total extract of Beta vulgaris var. cicla seeds versus its purified phenolic components: antioxidant activities and antiproliferative effects against colon cancer cells | Phytochemical analysis : PCA |
19454555 | 20110101 | Health-Beneficial Phenolic Aldehyde in Antigonon leptopus Tea | Evidence-based complementary and alternative medicine : eCAM |
19396178 | 20090601 | Impact of linker strain and flexibility in the design of a fragment-based inhibitor | Nature chemical biology |
11297806 | 20010328 | Cytotoxicity effects of di- and tri-hydroxybenzaldehydes as a chemopreventive potential agent on tumor cells | Toxicology |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.02660867 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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