Sodium 3-nitrobenzoate - CAS 827-95-2
Catalog: |
BB036911 |
Product Name: |
Sodium 3-nitrobenzoate |
CAS: |
827-95-2 |
Synonyms: |
sodium;3-nitrobenzoate |
IUPAC Name: | sodium;3-nitrobenzoate |
Description: | Sodium 3-nitrobenzoate (CAS# 827-95-2) is a useful research chemical. |
Molecular Weight: | 189.10 |
Molecular Formula: | C7H4NNaO4 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)[O-].[Na+] |
InChI: | InChI=1S/C7H5NO4.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-4H,(H,9,10);/q;+1/p-1 |
InChI Key: | MUADFEZFSKAZLT-UHFFFAOYSA-M |
Boiling Point: | 340.7 °C at 760 mmHg |
Melting Point: | >300°C |
Flash Point: | 157.5°C |
Purity: | 99 % |
Density: | 1.13 g/cm3 |
Appearance: | Yellowish crystalline powder |
MDL: | MFCD00150535 |
LogP: | 0.48150 |
Refractive Index: | 1.492 |
GHS Hazard Statement: | H228 (83.1%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021011612-A | Chemical conversion steel sheet | 20190708 |
CN-109881223-B | Cyanide-free gold plating solution and preparation method and application thereof | 20190311 |
EP-3484971-A1 | Alternative oxidizing agents for cobalt cmp | 20160714 |
US-2018016469-A1 | Alternative oxidizing agents for cobalt cmp | 20160714 |
WO-2018013847-A1 | Alternative oxidizing agents for cobalt cmp | 20160714 |
PMID | Publication Date | Title | Journal |
21862395 | 20111101 | Influence of alkaline earth metals on molecular structure of 3-nitrobenzoic acid in comparison with alkali metals effect | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21739988 | 20110817 | Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in polyketide construction | Journal of the American Chemical Society |
21238718 | 20110215 | CdSe quantum dots capped PAMAM dendrimer nanocomposites for sensing nitroaromatic compounds | Talanta |
20079354 | 20100401 | Mitochondrial-dependent apoptosis in Huntington's disease human cybrids | Experimental neurology |
16051311 | 20050901 | Effect of long-term exposure, biogenic substrate presence, and electron acceptor conditions on the biodegradation of multiple substituted benzoates and phenolates | Water research |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.00380189 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.00380189 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 86 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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