2,4-Difluorophenol - CAS 367-27-1
Catalog: |
BB023049 |
Product Name: |
2,4-Difluorophenol |
CAS: |
367-27-1 |
Synonyms: |
2,4-difluorophenol |
IUPAC Name: | 2,4-difluorophenol |
Description: | 2,4-Difluorophenol (CAS# 367-27-1) is an organic building block used for the synthesis of various pharmaceutical compounds, such as antivirulence agents. It is also used in the synthesis of new α-Phenoxyacetamide derivatives, acting as type III secretion system of Pseudomonas aeruginosa PAO1, a gram-negative bacteria. |
Molecular Weight: | 130.09 |
Molecular Formula: | C6H4F2O |
Canonical SMILES: | C1=CC(=C(C=C1F)F)O |
InChI: | InChI=1S/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H |
InChI Key: | NVWVWEWVLBKPSM-UHFFFAOYSA-N |
Boiling Point: | 52-53 ℃ (19 mmHg) |
Melting Point: | 22 ℃ |
Purity: | 95 % |
Density: | 1.36 g/cm3 |
Appearance: | Clear, yellow liquid |
Storage: | Flammables area |
MDL: | MFCD00009715 |
LogP: | 1.67040 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (89.36%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (87.23%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (91.49%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021094832-A1 | Heterocyclic nmda antagonists | 20191114 |
US-2021139486-A1 | Tyk2 pseudokinase ligands | 20191108 |
US-2021139494-A1 | Heterocyclic rip1 inhibitory compounds | 20191107 |
WO-2021076945-A1 | Tropolone derivatives and tautomers thereof for iron regulation in animals | 20191016 |
US-2021094943-A1 | Heterocyclic compounds | 20190912 |
PMID | Publication Date | Title | Journal |
21588831 | 20101013 | Aqua-{4,4',6,6'-tetra-fluoro-2,2'-[(piperazine-1,4-di-yl)dimethyl-ene]diphenolato}copper(II) | Acta crystallographica. Section E, Structure reports online |
21581345 | 20081120 | Ethyl 2-(4-chloro-phenyl)-3-(2,4-di-fluoro-phenoxy)acrylate | Acta crystallographica. Section E, Structure reports online |
17944451 | 20071115 | Synthesis and evaluation of 3-aryloxymethyl-1,2-dimethylindole-4,7-diones as mechanism-based inhibitors of NAD(P)H:quinone oxidoreductase 1 (NQO1) activity | Journal of medicinal chemistry |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.02302107 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.02302107 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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