2-Fluoro-4-nitrophenol - CAS 403-19-0
Catalog: |
BB024449 |
Product Name: |
2-Fluoro-4-nitrophenol |
CAS: |
403-19-0 |
Synonyms: |
Phenol, 2-fluoro-4-nitro-; 3-Fluoro-4-hydroxy-1-nitrobenzene; 3-Fluoro-4-hydroxynitrobenzene; 4-Nitro-2-fluorophenol |
Related CAS: | 21571-34-6 (potassium salt)
|
IUPAC Name: | 2-fluoro-4-nitrophenol |
Molecular Weight: | 157.10 |
Molecular Formula: | C6H4FNO3 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])F)O |
InChI: | InChI=1S/C6H4FNO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H |
InChI Key: | ORPHLVJBJOCHBR-UHFFFAOYSA-N |
Boiling Point: | 281.2±25.0°C at 760 mmHg |
Melting Point: | 121°C |
Purity: | ≥95% |
Density: | 1.511±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Light Yellow Powder to Crystal |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00051970 |
LogP: | 1.96270 |
Vapor Pressure: | 0.0026 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21851116 | 20110914 | Design of chemical shift-switching 19F magnetic resonance imaging probe for specific detection of human monoamine oxidase A | Journal of the American Chemical Society |
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 |
17351127 | 20070701 | 19F-NMR detection of lacZ gene expression via the enzymic hydrolysis of 2-fluoro-4-nitrophenyl beta-D-galactopyranoside in vivo in PC3 prostate tumor xenografts in the mouse | FASEB journal : official publication of the Federation of American Societies for Experimental Biology |
16813457 | 20070101 | Photochemical nucleophile mapping: identification of Tyr311 within the catalytic domain of rabbit muscle glyceraldehyde-3-phosphate dehydrogenase | Photochemistry and photobiology |
16916713 | 20060901 | Imaging beta-galactosidase activity using 19F chemical shift imaging of LacZ gene-reporter molecule 2-fluoro-4-nitrophenol-beta-D-galactopyranoside | Magnetic resonance imaging |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.01752115 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.01752115 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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