2-(4-Methylbenzoyl)benzoic acid
- Product Name2-(4-Methylbenzoyl)benzoic acid
- CAS85-55-2
- CBNumberCB8269717
- MFC15H12O3
- MW240.25
- EINECS201-614-3
- MDL NumberMFCD00020287
- MOL File85-55-2.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 137-139 °C(lit.) |
| Boiling point | 342.97°C (rough estimate) |
| Density | 1.1783 (rough estimate) |
| refractive index | 1.5570 (estimate) |
| storage temp. | Store below +30°C. |
| solubility | very soluble in Benzene,Ether,Acetone,Alcohol |
| form | powder to crystal |
| pka | 3.33±0.36(Predicted) |
| color | White to Almost white |
| Merck | 14,9539 |
| BRN | 2111078 |
| InChI | InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18) |
| InChIKey | ICQOWIXIHDDXDI-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC=C1C(=O)C1=CC=C(C)C=C1 |
| CAS DataBase Reference | 85-55-2(CAS DataBase Reference) |
| FDA UNII | 4DN9G70PQF |
| NIST Chemistry Reference | Benzoic acid, 2-(4-methylbenzoyl)-(85-55-2) |
| EPA Substance Registry System | Benzoic acid, 2-(4-methylbenzoyl)- (85-55-2) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-37/39 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2918300090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Eye Irrit. 2 | |||||||||
| NFPA 704: |
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