Benzimidazole-5,6-dicarboxylic Acid - CAS 10351-75-4
Catalog: |
BB001164 |
Product Name: |
Benzimidazole-5,6-dicarboxylic Acid |
CAS: |
10351-75-4 |
Synonyms: |
1H-benzimidazole-5,6-dicarboxylic acid; 1H-benzimidazole-5,6-dicarboxylic acid |
IUPAC Name: | 1H-benzimidazole-5,6-dicarboxylic acid |
Description: | Benzimidazole-5,6-dicarboxylic Acid (CAS# 10351-75-4) is a useful research chemical. |
Molecular Weight: | 206.15 |
Molecular Formula: | C9H6N2O4 |
Canonical SMILES: | C1=C(C(=CC2=C1NC=N2)C(=O)O)C(=O)O |
InChI: | InChI=1S/C9H6N2O4/c12-8(13)4-1-6-7(11-3-10-6)2-5(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15) |
InChI Key: | PIPQOFRJDBZPFR-UHFFFAOYSA-N |
Boiling Point: | 660.3 °C at 760 mmHg |
Density: | 1.715 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD03093058 |
LogP: | 0.95930 |
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 |
22618154 | 20120707 | Hydrothermal synthesis, crystal structure and properties of Ni(II)-4f complexes based on 1H-benzimidazole-5,6-dicarboxylic acid | Dalton transactions (Cambridge, England : 2003) |
22058883 | 20110901 | catena-Poly[[[triaqua-europium(III)]-μ-(1H-benzimidazole-5,6-dicarboxyl-ato-κO:O)-μ-(1H,3H-benzimidazol-3-ium-5,6-dicarboxyl-ato-κO:O,O)] dihydrate] | Acta crystallographica. Section E, Structure reports online |
22058892 | 20110901 | A one-dimensional triaqua-europium(III)-1H,3H-benzimidazol-3-ium-5,6-dicarboxyl-ate-sulfate polymeric structure | Acta crystallographica. Section E, Structure reports online |
21754644 | 20110601 | Poly[(μ-1H-benzimidazole-5,6-dicarboxyl-ato)lead(II)] | Acta crystallographica. Section E, Structure reports online |
20978673 | 20101221 | Hydrothermal synthesis, crystal structure and properties of Ag(I)-4f compounds based on 1H-benzimidazole-5,6-dicarboxylic acid | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.03275668 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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