2,3-Bis(4-hydroxyphenyl)propionitrile
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2,3-Bis(4-hydroxyphenyl)propionitrile
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CAS No:
1428-67-7
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Formula:
C15H13NO2
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Chemical Name:
2,3-Bis(4-hydroxyphenyl)propionitrile
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Synonyms:
Benzenepropanenitrile,4-hydroxy-α-(4-hydroxyphenyl)-;Propionitrile,2,3-bis(p-hydroxyphenyl)-;4-Hydroxy-α-(4-hydroxyphenyl)benzenepropanenitrile;DPN;2,3-Bis(p-hydroxyphenyl)propionitrile;2,3-Bis(4-hydroxyphenyl)propionitrile;2,3-Bis(4-hydroxyphenyl)propanenitrile
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CAS No:
Description
ChEBI: A nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta).
2,3-bis(4-hydroxyphenyl)propionitrile is a nitrile that is acetonitrile in which one of the hydrogens is replaced by a 4-hydroxyphenyl group while a second hydrogen is replaced by a 4-hydroxybenzyl group. It is a specific agonist for estrogen receptor beta (ERbeta). It has a role as an estrogen receptor agonist. It is a member of phenols and a nitrile.
Characteristics
64.2
2.06
white to beige
1.3±0.1 g/cm3
197.5-199.5 °C
449.4±35.0 °C at 760 mmHg
225.6±25.9 °C
1.640
soluble in 1eq. NaOH (30 mM), ethanol (100 mM), DMSO (100 mM), DMF (~30 mg/ml), and water (0.5 mg/ml at 25°C).
Desiccate at -20°C
Safety Information
9
UN 3077 9 / PGIII
3
36-50
26-61
UG0900000
Xi,N
P273-P305 + P351 + P338
H319-H400
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3-Bis(4-hydroxyphenyl)propionitrile Use and Manufacturing
2,3-Bis(4-hydroxyphenyl)propionitrile is an estrogen receptor β and α specific with pro- and anti-nociceptive actions in mice.
Computed Properties
Molecular Weight:239.27
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:239.094628657
Monoisotopic Mass:239.094628657
Topological Polar Surface Area:64.2
Heavy Atom Count:18
Complexity:293
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,3-Bis(4-hydroxyphenyl)propionitrile
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