Aurin
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Aurin
structure -
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CAS No:
603-45-2
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Formula:
C19H14O3
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Chemical Name:
Aurin
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Synonyms:
2,5-Cyclohexadien-1-one,4-[bis(4-hydroxyphenyl)methylene]-;Aurin;2,5-Cyclohexadien-1-one,4-[bis(p-hydroxyphenyl)methylene]-;4-[Bis(4-hydroxyphenyl)methylene]-2,5-cyclohexadien-1-one;C.I. 43800;Aurine;Corallin;Corallin Spirit Soluble;4-(p,p′-Dihydroxybenzhydrylidene)-2,5-cyclohexadien-1-one;p-Rosolic acid;Spirit Aurine;Aurin 555;4,4′-Dihydroxyfuchsone;Pararosolic acid;Rosalic acid;NSC 7805;4-[Bis(p-hydroxyphenyl)methylene]-2,5-cyclohexadien-1-one
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CAS No:
Characteristics
57.5
3.15
Red-brown to brownish-red Crystalline Powder
1.3±0.1 g/cm3
309 °C (decomp)
543.0±50.0 °C at 760 mmHg
296.2±26.6 °C
1.691
soluble in alcohol, sodium hydroxide, potassium hydroxide and strong acids.Solubility Practically insoluble in water, benzene; freely soluble in ethanol
Store at room temperature.
169.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Safety Information
NONH for all modes of transport
3
36/37/38-36/38
26-36-37/39
Xi
Stable. Incompatible with strong oxidizing agents.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Aurin Use and Manufacturing
activates heme oxygenase, anti-oxidative stress, inhibits DNA fragmentation
2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:290.3
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:290.094294304
Monoisotopic Mass:290.094294304
Topological Polar Surface Area:57.5
Heavy Atom Count:22
Complexity:457
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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