3'-Hydroxyacetophenone - CAS 121-71-1
Catalog: |
BB005245 |
Product Name: |
3'-Hydroxyacetophenone |
CAS: |
121-71-1 |
Synonyms: |
1-(3-hydroxyphenyl)ethanone |
Application: |
3'-Hydroxyacetophenone is a chemical reagent used in the synthesis and preparation of chalcones and flavonoids as anti-tuberculosis agents, as well as antileishmanial chaocones. |
IUPAC Name: | 1-(3-hydroxyphenyl)ethanone |
Description: | An impurity of Etilefrin. Etilefrin is a sympathomimetic drug that increases the pulse rate, cardiac output, stroke volume, central venous pressure and mean arterial pressure of healthy individuals. |
Molecular Weight: | 136.15 |
Molecular Formula: | C8H8O2 |
Canonical SMILES: | CC(=O)C1=CC(=CC=C1)O |
InChI: | InChI=1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3 |
InChI Key: | LUJMEECXHPYQOF-UHFFFAOYSA-N |
Boiling Point: | 296 °C (lit.) |
Melting Point: | 94 °C |
Flash Point: | >235.4 °F |
Purity: | > 95 % |
Density: | 1.1 g/cm3 |
Solubility: | Inert atmosphere, Room Temperature |
Appearance: | Liquid |
Storage: | Inert atmosphere, Room Temperature |
MDL: | MFCD00002298 |
LogP: | 1.59480 |
Refractive Index: | n20/D 1.475 (lit.) |
Vapor Pressure: | 0.00748 [mmHg] |
GHS Hazard Statement: | H302 (30.71%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102308155-B1 | Multi-functional cosmetic composition for skin improvement using natural plant and method for producing the same | 20210423 |
CN-112892429-A | Reversible thermochromic thermal expansion microcapsule and preparation method and application thereof | 20210125 |
CN-111912918-A | Method for measuring photoinitiator content in leather product | 20200717 |
CN-111803425-A | High-permeability skin care composition, nano emulsion thereof and preparation method | 20200715 |
KR-102209201-B1 | Oxyiminomethylbenzene derivatives | 20200629 |
PMID | Publication Date | Title | Journal |
22553053 | 20120301 | Neuroprotective compounds isolated from Cynanchum paniculatum | Archives of pharmacal research |
22199668 | 20111201 | 1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(3,1-phenyl-ene)}diethanone | Acta crystallographica. Section E, Structure reports online |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
20345141 | 20100507 | Chemoenzymatic synthesis of rivastigmine via dynamic kinetic resolution as a key step | The Journal of organic chemistry |
21582590 | 20090328 | (E)-3-(4-Hexyl-oxyphen-yl)-1-(3-hydroxy-phen-yl)prop-2-en-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.052429494 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.052429494 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS