4-Hydroxy-3-nitrobenzoic acid - CAS 616-82-0
Catalog: |
BB031223 |
Product Name: |
4-Hydroxy-3-nitrobenzoic acid |
CAS: |
616-82-0 |
Synonyms: |
4-hydroxy-3-nitrobenzoic acid |
IUPAC Name: | 4-hydroxy-3-nitrobenzoic acid |
Description: | 4-Hydroxy-3-nitrobenzoic acid (CAS# 616-82-0) is a useful research chemical. |
Molecular Weight: | 183.12 |
Molecular Formula: | C7H5NO5 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])O |
InChI: | InChI=1S/C7H5NO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11) |
InChI Key: | QRYSWXFQLFLJTC-UHFFFAOYSA-N |
Boiling Point: | 354.3 °C at 760 mmHg |
Melting Point: | 182-186 °C |
Purity: | 98 % |
Density: | 1 g/cm3 (20 °C) |
Appearance: | Yellow to light brown powder |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007119 |
LogP: | 1.52180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22263632 | 20120213 | Microwave-assisted linear approach toward highly substituted benzo[d]oxazol-5-yl-1H-benzo[d]imidazole on ionic liquid support | ACS combinatorial science |
21283915 | 20110321 | Polymer supported synthesis of novel benzoxazole linked benzimidazoles under microwave conditions: in vitro evaluation of VEGFR-3 kinase inhibition activity | Organic & biomolecular chemistry |
20738148 | 20100917 | Improved iterative synthesis of linearly disassembling dendrons | The Journal of organic chemistry |
19557451 | 20100301 | Isolation and identification of new vasodilative substances in diesel exhaust particles | Environmental science and pollution research international |
19177194 | 20090101 | Preparation and Characterization of a Polyclonal Antibody against Brominated Protein | Journal of clinical biochemistry and nutrition |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.01677226 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.01677226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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