4'-Chloro-2-hydroxyacetophenone - CAS 27993-56-2
Catalog: |
BB019729 |
Product Name: |
4'-Chloro-2-hydroxyacetophenone |
CAS: |
27993-56-2 |
Synonyms: |
1-(4-chlorophenyl)-2-hydroxyethanone; 1-(4-chlorophenyl)-2-hydroxyethanone |
IUPAC Name: | 1-(4-chlorophenyl)-2-hydroxyethanone |
Description: | 4'-Chloro-2-hydroxyacetophenone (CAS# 27993-56-2) is a useful research chemical. |
Molecular Weight: | 170.59 |
Molecular Formula: | C8H7ClO2 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)CO)Cl |
InChI: | InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2 |
InChI Key: | DMDCUPKBRHFLKH-UHFFFAOYSA-N |
Boiling Point: | 299.9 °C at 760 mmHg |
Density: | 1.307 g/cm3 |
MDL: | MFCD01570063 |
LogP: | 1.51500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021081207-A1 | Glp-1r modulating compounds | 20191025 |
WO-2020037155-A1 | 1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indole derivative compounds and uses thereof | 20180816 |
EP-3836919-A1 | 1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indole derivative compounds and uses thereof | 20180816 |
WO-2019087016-A1 | Compounds useful in hiv therapy | 20171030 |
US-2020325147-A1 | Compounds Useful in HIV Therapy | 20171030 |
PMID | Publication Date | Title | Journal |
21126022 | 20110113 | Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase | Journal of medicinal chemistry |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0134572 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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