Benzophenone-2,4'-dicarboxylic acid 1-hydrate
Product Information
Molecular Formula
C15H10O5
Molecular Weight
270.24
Description
Benzophenone-2,4'-dicarboxylic acid 1-hydrate is a biomedical product. It has powerful anticancer and antiviral properties, thereby enhancing research into combating malignancies and viral invasion.
Synonyms
Benzophenone-2,4'-dicarboxylic acid 1-hydrate; 2,4-Dicarboxybenzophenone
IUPAC Name
2-(4-carboxybenzoyl)benzoic acid
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C15H10O5/c16-13(9-5-7-10(8-6-9)14(17)18)11-3-1-2-4-12(11)15(19)20/h1-8H,(H,17,18)(H,19,20)
InChI Key
RWHRIIMYBNGFEV-UHFFFAOYSA-N
Boiling Point
556.6±35.0 °C(Predicted)
Melting Point
241 °C
Purity
>98.0%(T)
Density
1.403±0.06 g/cm3(Predicted)
Appearance
White to Almost white powder to crystal
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
270.05282342 g/mol
Monoisotopic Mass
270.05282342 g/mol
Topological Polar Surface Area
91.7Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
395
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 |
|---|---|---|
| CN-111848654-A | Zinc complex with property of catalyzing photo-degradation of methyl orange dye and preparation method thereof | 2019-04-25 |
| CN-111450887-A | Zinc complex synthesis and application of zinc complex as photodegradation catalyst | 2019-01-22 |
| WO-2020021112-A1 | Improvements relating to water capture | 2018-07-26 |
| US-2021162338-A1 | Water capture | 2018-07-26 |
| CN-108559102-B | Three-core four-core mixed cobalt cluster coordination polymer and preparation method and application thereof | 2018-06-20 |
| US-2021154213-A1 | Pharmacological agents for treating ocular diseases | 2018-04-05 |
| CN-111263761-A | Novel polymer and diamine compound | 2017-08-23 |
| EP-3270686-A1 | Production of ingenol, ingenol esters and/or tiglian-3-one derivatives by euphorbiaceae plant cell suspension cultures | 2015-03-20 |
| US-10172306-B2 | Production of ingenol, ingenol esters and/or tiglian-3-one derivatives by euphorbiaceae plant cell suspension cultures | 2015-03-20 |
| US-2018042194-A1 | Production of ingenol, ingenol esters and/or tiglian-3-one derivatives by euphorbiaceae plant cell suspension cultures | 2015-03-20 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21069241 | 2011-01-07 | Pentacobalt(II) cluster based pcu network exhibits both magnetic slow-relaxation and hysteresis behaviour | Dalton transactions (Cambridge, England : 2003) |
| 21578927 | 2009-11-25 | 4,4'-(Ethene-1,2-diyl)dipyridinium bis-[4-(2-carboxy-benzo-yl)benzoate] | Acta crystallographica. Section E, Structure reports online |
| 19259557 | 2009-03-21 | Ferrimagnetic [CoII3(micro3-OH)2(RCO2)4] chains embedded in a laminar hybrid material exhibiting single-chain magnet behaviour | Dalton transactions (Cambridge, England : 2003) |
| 15115392 | 2004-05-06 | Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening | Journal of medicinal chemistry |
