4-Nitrophthalic acid - CAS 610-27-5
Catalog: |
BB030903 |
Product Name: |
4-Nitrophthalic acid |
CAS: |
610-27-5 |
Synonyms: |
4-nitrophthalic acid |
IUPAC Name: | 4-nitrophthalic acid |
Description: | 4-Nitrophthalic acid (CAS# 610-27-5) is an impurity of Apremilast. |
Molecular Weight: | 211.13 |
Molecular Formula: | C8H5NO6 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O |
InChI: | InChI=1S/C8H5NO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13) |
InChI Key: | SLBQXWXKPNIVSQ-UHFFFAOYSA-N |
Boiling Point: | 459.5 °C at 760 mmHg |
Purity: | Techincal grade |
Density: | 1.671 g/cm3 |
Appearance: | Light-beige solid |
MDL: | MFCD00007252 |
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 |
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PMID | Publication Date | Title | Journal |
22346893 | 20120201 | Bis(μ-2-carb-oxy-5-nitro-benzoato-κO:O)bis-[(2,2'-bipyridine-κN:N')chloridocopper(II)] dihydrate | Acta crystallographica. Section E, Structure reports online |
21373656 | 20110721 | A 2D homochiral inorganic-organic framework exhibiting a spin-flop transition | Dalton transactions (Cambridge, England : 2003) |
21727637 | 20110701 | Proton-transfer compounds of isonipecotamide with the aromatic dicarboxylic acids 4-nitrophthalic, 4,5-dichlorophthalic, 5-nitroisophthalic and terephthalic acid | Acta crystallographica. Section C, Crystal structure communications |
21522865 | 20110115 | catena-Poly[[(2,2'-bipyridine-κN,N')cadmium]-μ(3)-4-nitro-phthalato-κO:O',O'':O'''] | Acta crystallographica. Section E, Structure reports online |
22216208 | 20110101 | An immunoassay for dibutyl phthalate based on direct hapten linkage to the polystyrene surface of microtiter plates | PloS one |
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: | 0.9 |
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