4,7-Dihydroxy-1,10-phenanthroline
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4,7-Dihydroxy-1,10-phenanthroline
structure -
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CAS No:
3922-40-5
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Formula:
C12H8N2O2
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Chemical Name:
4,7-Dihydroxy-1,10-phenanthroline
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Synonyms:
1,10-Phenanthroline-4,7-diol;4,7-Dihydroxy-1,10-phenanthroline
- Categories:
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CAS No:
Characteristics
58.2
1.2
Yellow Powder
1.5±0.1 g/cm3
475 °C (decomp)
265.8±28.7 °C
1.830
Insoluble in water.
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4,7-Dihydroxy-1,10-phenanthroline Use and Manufacturing
4, 7-Dihydroxy-1, 10-phenanthroline (380mg, 1.80mmol), PBr3 (530mg, 1.96mmol) and POBr3 (2.4g, 8.4mmol)were heated at 110C for 8h under Ar-gas atmosphere. Afterthe reaction, ice (ca. 100g) was poured into the mixture and thesolution pH was adjusted to 8 with an aqueous 10% NaOH solution. The mixture was then extracted with CH2Cl2 (100mL) three times. The combined organic phase was dried overanhydrous MgSO4 and evaporated to dryness under reducedpressure. The resulting products were purified by columnchromatography (SiO2, CHCl3), affording pure 4, 7-Br2-phen(151mg, 25%). Rf = 0.40 (SiO2, CHCl3). 1HNMR (270MHz, CDCl3): delta/ppm 7.97 (d, 2H, J = 4.8Hz, 3, 8-Ar-H), 8.33(s, 2H, 5, 6-Ar-H), 8.95 (d, 2H, J = 4.8Hz, 2, 9-Ar-H). ESI-MSm/z 339 ([M+H]+).To the reaction flask by adding 4.2 g (0.02mol) 4, 7-dihydroxy -1, 10-phenanthroline, 3.4 g (0.02mol) copper chloride dihydrate, 20 ml anhydrous acetic acid, 5 ml water, heating reflux for 10 hours, still, to separate out the solid, the solid drying cocatalyst 4.0 g.
1,10-Phenanthroline-4,7-diol: INACTIVE
Computed Properties
Molecular Weight:212.20
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:212.058577502
Monoisotopic Mass:212.058577502
Topological Polar Surface Area:58.2
Heavy Atom Count:16
Complexity:362
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4,7-Dihydroxy-1,10-phenanthroline
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