3880-99-7
| Name | BENZOIC ACID-ALPHA-13C |
| CAS | 3880-99-7 |
| Molecular Formula | C7H6O2 |
| MDL Number | MFCD00002399 |
| Molecular Weight | 123.13 |
| MOL File | 3880-99-7.mol |
Chemical Properties
| Melting point | 121-125 °C (lit.) |
| Boiling point | 249 °C (lit.) |
| density | 1.198±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | Room Temperature |
| solubility | Ethanol (Slightly), Methanol (Slightly) |
| form | Solid |
| color | White to Off-White |
| InChI | 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i7+1 |
| InChIKey | WPYMKLBDIGXBTP-CDYZYAPPSA-N |
| SMILES | O[13C](=O)c1ccccc1 |
| CAS Number Unlabeled | 65-85-0 |
Safety Data
| Symbol(GHS) |    GHS05,GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H302-H315-H317-H318-H334-H335 |
| Precautionary statements | P261-P280-P305+P351+P338-P342+P311 |
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Eye Dam. 1 Skin Irrit. 2 STOT RE 1 Inhalation |