2-Benzoylbenzoic acid

Product Information

Molecular Formula:
C14H10O3
Molecular Weight:
226.23
Description
2-Benzoylbenzoic acid (CAS# 85-52-9) is a useful research chemical.
Synonyms
2-benzoylbenzoic acid
IUPAC Name
2-benzoylbenzoic acid
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.
LogP
2.61580

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye 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

Computed Properties

XLogP3
2.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
226.062994177 g/mol
Monoisotopic Mass
226.062994177 g/mol
Topological Polar Surface Area
54.4Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
292
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
JP-2022040300-A Photocurable resin composition and cured product 2022-01-18
JP-2022040133-A A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same. 2021-12-15
JP-2022016511-A Manufacturing method of silver fine particle ink for offset printing 2021-11-11
CN-114057625-A C2-acyloxy-3-indolinone derivative and preparation method and application thereof 2021-11-03
CN-113637277-A Plastic with uniform light reflection performance 2021-08-24
CN-113599559-A Alcohol-free air freshener and preparation method thereof 2021-08-20
CN-113444328-A PVC (polyvinyl chloride) main stabilizer, composite heat stabilizer for PVC and PVC 2021-07-20
KR-102367520-B1 Semiconductor nanoparticle-ligand composite, manufacturing method of thereof, photosensitive resin composition, optical film, electroluminescent diode and electronic device 2021-07-15
CN-113430828-A Fiber product and preparation method thereof 2021-06-23
JP-6954705-B1 Resin composition and molded product 2021-05-28

Literatures

PMID Publication Date Title Journal
22412594 2012-03-01 2-Amino-3-(hy-droxy-meth-yl)pyridinium 2-benzoyl-benzoate monohydrate Acta crystallographica. Section E, Structure reports online
21229980 2011-02-18 A rapid and efficient access to diaryldibenzo[b,f][1,5]diazocines Organic letters
21583367 2009-07-11 trans-Bis(2-benzoyl-benzoato-κO)bis-(ethanol-κO)bis-(1H-imidazole-κN)nickel(II) Acta crystallographica. Section E, Structure reports online
21583006 2009-05-14 Bis-(benzimidazole-κN)bis(2-benzoyl-benzoato-κO)copper(II) Acta crystallographica. Section E, Structure reports online
18785704 2008-10-09 Aminium cation radical of glycylglycine and its deprotonation to aminyl radical in aqueous solution The journal of physical chemistry. B
21201685 2008-08-06 3-(5,6,7,8-Tetra-hydro-2-naphth-yl)iso-benzofuran-1(3H)-one Acta crystallographica. Section E, Structure reports online
18610942 2008-07-31 Effects of complex formation on vibrational circular dichroism spectra The journal of physical chemistry. A
17190488 2007-01-02 Permeability and electrokinetic characterization of poly(ethylene terephthalate) capillary pore membranes with grafted temperature-responsive polymers Langmuir : the ACS journal of surfaces and colloids
16836441 2006-07-20 Exploring the ability of frozen-density embedding to model induced circular dichroism The journal of physical chemistry. A
17020020 2006-07-01 [The electroluminescence of a novel complex Eu(o-BBA)3(phen)] Guang pu xue yu guang pu fen xi = Guang pu
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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