4-Fluoro-3-nitrobenzoic acid - CAS 453-71-4
Catalog: |
BB025846 |
Product Name: |
4-Fluoro-3-nitrobenzoic acid |
CAS: |
453-71-4 |
Synonyms: |
4-fluoro-3-nitrobenzoic acid |
IUPAC Name: | 4-fluoro-3-nitrobenzoic acid |
Description: | 4-Fluoro-3-nitrobenzoic acid (CAS# 453-71-4) is a compound useful in organic synthesis. |
Molecular Weight: | 185.11 |
Molecular Formula: | C7H4FNO4 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F |
InChI: | InChI=1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11) |
InChI Key: | BOJWTAQWPVBIPG-UHFFFAOYSA-N |
Boiling Point: | 356.9 °C at 760 mmHg |
Purity: | 97+ % |
Density: | 1.568 g/cm3 |
Appearance: | Beige solid |
MDL: | MFCD00007058 |
LogP: | 1.95530 |
GHS Hazard Statement: | H302 (82.61%): 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 |
CN-113004241-A | 11, 20-dicarbonyl economic oridonin 14-O-benzoic acid esterified derivative and preparation method and application thereof | 20210305 |
CN-112142622-A | Synthesis method of 4-fluoro-3-nitrobenzonitrile | 20201102 |
WO-2021194908-A1 | Modified dipeptide cleavases, uses thereof and related kits | 20200324 |
WO-2021151014-A1 | Pgdh inhibitors and methods of making and using | 20200123 |
CN-113072597-A | Method for synthesizing On-DNA carbonyl diazacyclo compound | 20200103 |
PMID | Publication Date | Title | Journal |
22902883 | 20120817 | Straightforward synthesis of novel 1-(2'-α-O-D-glucopyranosyl ethyl) 2-arylbenzimidazoles | Molecules (Basel, Switzerland) |
22511608 | 20120601 | Design and synthesis of new biprivileged molecular scaffolds: indolo-fused benzodiazepinyl/quinoxalinyl benzimidazoles | Chemistry, an Asian journal |
21648408 | 20110711 | Divergent synthesis of unsymmetrical annulated biheterocyclic compound libraries: benzimidazole linked indolo-benzodiazepines/quinoxaline | ACS combinatorial science |
21472995 | 20110606 | Regioselective, unconventional Pictet-Spengler cyclization strategy toward the synthesis of benzimidazole-linked imidazoquinoxalines on a soluble polymer support | Chemistry, an Asian journal |
21582214 | 20090221 | Ethyl 4-fluoro-3-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.01243577 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.01243577 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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