2-Benzimidazolecarboxylic Acid - CAS 2849-93-6
Catalog: |
BB019870 |
Product Name: |
2-Benzimidazolecarboxylic Acid |
CAS: |
2849-93-6 |
Synonyms: |
1H-benzimidazole-2-carboxylic acid; 1H-benzimidazole-2-carboxylic acid |
IUPAC Name: | 1H-benzimidazole-2-carboxylic acid |
Description: | 2-Benzimidazolecarboxylic Acid (CAS# 2849-93-6) is a useful research chemical. |
Molecular Weight: | 162.15 |
Molecular Formula: | C8H6N2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)NC(=N2)C(=O)O |
InChI: | InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12) |
InChI Key: | RHXSYTACTOMVLJ-UHFFFAOYSA-N |
Boiling Point: | 443.991 °C at 760 mmHg |
Density: | 1.507 g/cm3 |
Appearance: | Light yellow powder |
LogP: | 1.26110 |
GHS Hazard Statement: | H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112280143-A | Silicon core pipe and preparation method thereof | 20201013 |
CN-111718324-A | Composition based on benzimidazole carboxylic acid compounds and application thereof | 20200521 |
US-11124497-B1 | Inhibitors of cysteine proteases and methods of use thereof | 20200417 |
WO-2021200934-A1 | Antimalarial drug | 20200330 |
CN-113497231-A | Negative electrode for lithium ion secondary battery and lithium ion secondary battery provided with same | 20200318 |
PMID | Publication Date | Title | Journal |
23125606 | 20121001 | Bis(1H-benzimidazole-2-carboxyl-ato-κ(2)N(3),O)bis-(ethanol-κO)manganese(II) | Acta crystallographica. Section E, Structure reports online |
22051950 | 20111101 | Two mononuclear octahedral complexes with benzimidazole-2-carboxylate: supramolecular networks constructed by hydrogen bonds | Acta crystallographica. Section C, Crystal structure communications |
21695713 | 20110901 | Cytotoxic and antimicrobial activities of Cu(II), Co(II), Pt(II) and Zn(II) Complexes with N,O-chelating heterocyclic carboxylates | Archiv der Pharmazie |
21754784 | 20110601 | 1H-Benzimidazol-3-ium-2-carboxyl-ate dihydrate | Acta crystallographica. Section E, Structure reports online |
21754512 | 20110501 | Ethyl 1-benzyl-1,2,3,3a,4,10b-hexa-hydro-pyrrolo-[2',3':3,4]pyrrolo-[1,2-a]benzimidazole-2-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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