Nitroterephthalic acid - CAS 610-29-7
Catalog: |
BB030906 |
Product Name: |
Nitroterephthalic acid |
CAS: |
610-29-7 |
Synonyms: |
2-nitroterephthalic acid |
IUPAC Name: | 2-nitroterephthalic acid |
Description: | Nitroterephthalic acid (CAS# 610-29-7) is a useful research chemical. |
Molecular Weight: | 211.13 |
Molecular Formula: | C8H5NO6 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13) |
InChI Key: | QUMITRDILMWWBC-UHFFFAOYSA-N |
Boiling Point: | 454.8 °C at 760 mmHg |
Density: | 1.671 g/cm3 |
MDL: | MFCD00007141 |
LogP: | 1.51440 |
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 |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
21815649 | 20110905 | Three-dimensional hybrid framework containing U2O13 dimers connected via cation-cation interactions | Inorganic chemistry |
21107976 | 20110301 | Application of headspace solid-phase microextraction followed by gas chromatography-mass spectrometry to determine short-chain alkane monocarboxylic acids in aqueous samples | Analytical and bioanalytical chemistry |
21330701 | 20110101 | Application of gas chromatography-mass spectrometry preceded by solvent extraction to determine volatile fatty acids in wastewater of municipal, animal farm and landfill origin | Water science and technology : a journal of the International Association on Water Pollution Research |
20929220 | 20101101 | Two-step adsorption on jungle-gym-type porous coordination polymers: dependence on hydrogen-bonding capability of adsorbates, ligand-substituent effect, and temperature | Inorganic chemistry |
21588206 | 20100721 | Poly[[[aqua(2,2'-bipyridine-κN,N')zinc(II)]-μ-2-nitroterephthalato-κO:O] monohydrate] | Acta crystallographica. Section E, Structure reports online |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.01168688 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.01168688 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 120 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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