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2-Hydroxyacetophenone

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Category Human immunodeficiency Virus (HIV)
CAS 582-24-1
Description 2-Hydroxyacetophenone (CAS# 582-24-1) is a useful reactant for synthesis of diarylpyrazoles as cyclooxygenase 2 inhibitors.
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Product Information

Synonyms 2-hydroxy-1-phenylethanone
IUPAC Name 2-hydroxy-1-phenylethanone
Molecular Weight 136.15
Molecular Formula C8H8O2
Canonical SMILES C1=CC=C(C=C1)C(=O)CO
InChI InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKey ZWVHTXAYIKBMEE-UHFFFAOYSA-N
Boiling Point 126 °C / 12 mmHg
Melting Point 86-89 °C(lit.)
Flash Point 100.4±12.4 °C
Purity ≥98% (HPLC)
Density 1.149 g/cm3
Solubility In Vitro:
DMSO : 25 mg/mL(183.62 mM;Need ultrasonic)
In Vivo:
1.Add each solvent one by one:10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline
Solubility: ≥ 2.5 mg/mL (18.36 mM); Clear solution
2.Add each solvent one by one:10% DMSO >> 90% (20% SBE-β-CD in saline)
Solubility: ≥ 2.5 mg/mL (18.36 mM); Clear solution
3.Add each solvent one by one:10% DMSO >> 90% corn oil
Solubility: ≥ 2.5 mg/mL (18.36 mM); Clear solution
Appearance White to off-white (Solid)
Storage Powder:
-20°C: 3 years
4°C: 2 years
In solvent:
-80°C: 6 months
-20°C: 1 month
Complexity 114
Exact Mass 136.052429494
Index Of Refraction 1.551
PSA 37.30000
Target HIV; SARS-CoV
Vapor Pressure 0.0±0.5 mmHg at 25°C
XLogP3-AA 1.1

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