5-Fluoro-2-nitrophenol - CAS 446-36-6
Catalog: |
BB025680 |
Product Name: |
5-Fluoro-2-nitrophenol |
CAS: |
446-36-6 |
Synonyms: |
Phenol, 5-fluoro-2-nitro-; 2-Nitro-5-fluorophenol; 3-Fluoro-6-nitrophenol; 4-Fluoro-2-hydroxy-1-nitrobenzene; 4-Fluoro-2-hydroxynitrobenzene; NSC 10284 |
IUPAC Name: | 5-fluoro-2-nitrophenol |
Molecular Weight: | 157.10 |
Molecular Formula: | C6H4FNO3 |
Canonical SMILES: | C1=CC(=C(C=C1F)O)[N+](=O)[O-] |
InChI: | InChI=1S/C6H4FNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H |
InChI Key: | QQURWFRNETXFTN-UHFFFAOYSA-N |
Boiling Point: | 228.5±20.0°C at 760 mmHg |
Melting Point: | 36°C |
Purity: | ≥95% |
Density: | 1.511±0.06 g/cm3 |
Solubility: | Soluble in Water (Slightly) |
Appearance: | White to light yellow crystal powder |
Storage: | Store at RT under inert atmosphere |
MDL: | MFCD00007107 |
LogP: | 1.96270 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (91.49%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (97.87%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (97.87%): Causes serious eye irritation [Warning 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021061643-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 20190923 |
WO-2021055627-A1 | Substituted n-heterocyclic carboxamides as acid ceramidase inhibitors and their use as medicaments | 20190917 |
WO-2020261114-A1 | 2,3-dihydroquinazolin compounds as nav1.8 inhibitors | 20190627 |
US-10766888-B1 | HMOX1 inducers | 20190412 |
WO-2020210339-A1 | Hmox1 inducers | 20190412 |
PMID | Publication Date | Title | Journal |
17221976 | 20070119 | Aryl amidation routes to dihydropyrrolo[3,2-e]indoles and pyrrolo[3,2-f]tetrahydroquinolines: total synthesis of the (+/-)-CC-1065 CPI subunit | The Journal of organic chemistry |
16190649 | 20051005 | Synthesis and herbicidal activity of 2-(7-fluoro-3-oxo- 3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)isoindoline-1,3-diones | Journal of agricultural and food chemistry |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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