2-Benzoylbenzoic acid - CAS 85-52-9
Catalog: |
BB037644 |
Product Name: |
2-Benzoylbenzoic acid |
CAS: |
85-52-9 |
Synonyms: |
2-benzoylbenzoic acid |
IUPAC Name: | 2-benzoylbenzoic acid |
Description: | 2-Benzoylbenzoic acid (CAS# 85-52-9) is a useful research chemical. |
Molecular Weight: | 226.23 |
Molecular Formula: | C14H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O |
InChI: | InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17) |
InChI Key: | FGTYTUFKXYPTML-UHFFFAOYSA-N |
Boiling Point: | 257-265 °C |
Melting Point: | 126-130 °C |
Purity: | 98 % |
Solubility: | Very sol in alcohol & ether; sol in hot benzene |
Appearance: | White powder. |
Storage: | Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002472 |
LogP: | 2.61580 |
GHS Hazard Statement: | H315 (98.28%): 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 |
22412594 | 20120301 | 2-Amino-3-(hy-droxy-meth-yl)pyridinium 2-benzoyl-benzoate monohydrate | Acta crystallographica. Section E, Structure reports online |
21229980 | 20110218 | A rapid and efficient access to diaryldibenzo[b,f][1,5]diazocines | Organic letters |
21583367 | 20090711 | trans-Bis(2-benzoyl-benzoato-κO)bis-(ethanol-κO)bis-(1H-imidazole-κN)nickel(II) | Acta crystallographica. Section E, Structure reports online |
21583006 | 20090514 | Bis-(benzimidazole-κN)bis(2-benzoyl-benzoato-κO)copper(II) | Acta crystallographica. Section E, Structure reports online |
18785704 | 20081009 | Aminium cation radical of glycylglycine and its deprotonation to aminyl radical in aqueous solution | The journal of physical chemistry. B |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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