2,5-Dihydroxybenzaldehyde - CAS 1194-98-5
Catalog: |
BB004514 |
Product Name: |
2,5-Dihydroxybenzaldehyde |
CAS: |
1194-98-5 |
Synonyms: |
2,5-dihydroxybenzaldehyde |
Application: |
2,5-Dihydroxybenzaldehyde (cas# 1194-98-5) is a compound useful in organic synthesis. |
IUPAC Name: | 2,5-dihydroxybenzaldehyde |
Description: | 2,5-Dihydroxybenzaldehyde is a is a natural phenol found in the heartwoods of Pseudolarix amabilis, it is a tyrosine kinase inhibitor. |
Molecular Weight: | 138.12 |
Molecular Formula: | C7H6O3 |
Canonical SMILES: | C1=CC(=C(C=C1O)C=O)O |
InChI: | InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H |
InChI Key: | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
Boiling Point: | 276.1 °C at 760 mmHg |
Melting Point: | 100.00 to 103.00 °C at 760.00 mm Hg |
Purity: | > 98 % |
Density: | 1.409 g/cm3 |
Solubility: | Inert atmosphere, 2-8°C |
Appearance: | Powder |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD00003333 |
LogP: | 0.91030 |
Quality Standard: | Enterprise Standard |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22982811 | 20121201 | Synthesis and characterization of novel nano-chitosan Schiff base and use of lead (II) sensor | International journal of biological macromolecules |
22946444 | 20121002 | Diffusion-free mediator based miniature biofuel cell anode fabricated on a carbon-MEMS electrode | Langmuir : the ACS journal of surfaces and colloids |
22216942 | 20120120 | Sequential C-N and C-O bond formation in a single pot: synthesis of 2H-benzo[b][1,4]oxazines from 2,5-dihydroxybenzaldehyde and amino acid precursors | Organic letters |
21523547 | 20120101 | Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes | Journal of molecular modeling |
22666407 | 20120101 | Synthesis and biological evaluation of phenanthrenes as cytotoxic agents with pharmacophore modeling and ChemGPS-NP prediction as topo II inhibitors | PloS one |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.031694049 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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