General description
Molecular dynamics simulation study of the two known polymorphs of 4′-hydroxyacetophenone (form I, monoclinic; form II, orthorhombic) has been described.
Application
4′-Hydroxyacetophenone has been used as ketone component in the preparation of 1-aryl-3-phenethylamino-1-propanone hydrochlorides, potential cytotoxic agents, via Mannich reactions.
Molecular Weight: 136.15. Empirical Formula: C8H8O2. linearFormula: HOC6H4COCH3. Quality Level: 200. Assay: 99%. form: solid. bp: 147-148 . °C/3 . mmHg (lit.). mp: 109-111 . °C (lit.). solubility: 95% ethanol: 5%, colorless to faintly yellow. SMILES string: CC(: O)c1ccc(O)cc1. InChI: 1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3. InChI key: TXFPEBPIARQUIG-UHFFFAOYSA-N. Pictograms: GHS07. Signal Word: Warning. Hazard Statements: H319 - H412. Precautionary Statements: P264 - P273 - P280 - P305 + P351 + P338 - P337 + P313 - P501. Hazard Classifications: Aquatic Chronic 3 - Eye Irrit. 2. Storage Class Code: 13 - Non Combustible Solids. WGK: WGK 1. Flash Point(F): 330.8 °F. Flash Point(C): 166 °C. Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves.- UPC:
- 51111606
- Condition:
- New
- HazmatClass:
- No
- MPN:
- 278564-500G
- CAS:
- 99-93-4
akash.verma@cenmed.com
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