4,7-Dihydroxy-1,10-phenanthroline - CAS 3922-40-5
Catalog: |
BB054652 |
Product Name: |
4,7-Dihydroxy-1,10-phenanthroline |
CAS: |
3922-40-5 |
Synonyms: |
1,10-Phenanthroline-4,7-diol; 1,4,7,10-Tetrahydro-1,10-phenanthroline-4,7-dione |
Related CAS: | 61626-11-7 (hydrochloride)
|
IUPAC Name: | 1,10-dihydro-1,10-phenanthroline-4,7-dione |
Molecular Weight: | 212.20 |
Molecular Formula: | C12H8N2O2 |
Canonical SMILES: | C1=CC2=C(C3=C1C(=O)C=CN3)NC=CC2=O |
InChI: | InChI=1S/C12H8N2O2/c15-9-3-5-13-11-7(9)1-2-8-10(16)4-6-14-12(8)11/h1-6H,(H,13,15)(H,14,16) |
InChI Key: | SLIBCJURSADKPV-UHFFFAOYSA-N |
Boiling Point: | 515.8±45.0°C (Predicted) |
Melting Point: | >300°C (dec.) |
Purity: | ≥95% |
Density: | 1.505±0.06 g/cm3 (Predicted) |
Solubility: | Insoluble in Water |
Appearance: | Yellow Powder |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00004975 |
Precautionary Statement: | P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse. |
Signal Word: | Warning |
Complexity: | 362 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.058577502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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