85-52-9
Product Name:
2-Benzoylbenzoic acid
Formula:
C14H10O3
Synonyms:
Benzophenone-2-carboxylic acid
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [HSDB] White or cream colored crystalline powder; [MSDSonline] |
|---|---|
| Color/Form | TRICLINIC NEEDLES (WATER + 1) |
| Melting Point | 127-129 °C |
| Solubility | VERY SOL IN ALCOHOL & ETHER; SOL IN HOT BENZENE |
| Other Experimental Properties | UV: 1726 (Absorption Spectra in the UV and visible Regions, Academic Press, New York) /Benzoic acid, 3-benzoyl/ |
| Chemical Classes | Other Classes -> Benzophenones |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 226.23 g/mol |
|---|---|
| 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 | 54.4 Ų |
| 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 |