3-Nitrophthalic acid - CAS 603-11-2
Catalog: |
BB030643 |
Product Name: |
3-Nitrophthalic acid |
CAS: |
603-11-2 |
Synonyms: |
3-nitrophthalic acid |
IUPAC Name: | 3-nitrophthalic acid |
Description: | An impurity of Pomalidomide which is a derivative of thalidomide with antineoplastic effect. |
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)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13) |
InChI Key: | KFIRODWJCYBBHY-UHFFFAOYSA-N |
Boiling Point: | 441.3 ℃ at 760 mmHg |
Purity: | 99 % |
Density: | 1.671 g/cm3 |
Appearance: | Off-white powder |
MDL: | MFCD00007138 |
LogP: | 1.51440 |
Vapor Pressure: | 0.00000018 [mmHg] |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113416123-A | Monomeric compound separated from trichoderma polyspora strain, preparation method and application | 20210805 |
CN-112684027-A | Method for detecting purity of 3-nitrophthalic acid | 20201204 |
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PMID | Publication Date | Title | Journal |
22864596 | 20120828 | Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality | Dalton transactions (Cambridge, England : 2003) |
22412416 | 20120301 | catena-Poly[[bis-(1-methyl-1H-imidazole-κN)zinc]-μ-3-nitro-phthalato-κO:O] | Acta crystallographica. Section E, Structure reports online |
22412417 | 20120301 | Bis(μ-3-nitro-phthalato-κO:O)bis-[(thio-urea-κS)zinc] dihydrate | Acta crystallographica. Section E, Structure reports online |
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 |
21589215 | 20101106 | Poly[μ(2)-aqua-diaqua-(μ(8)-3-nitro-benzene-1,2-dicarboxylato)(μ(6)-3-nitro-benzene-1,2-dicarboxylato)tetra-sodium] | 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: | 0.7 |
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