1079-02-3
| Name | BENZOIC ACID-D5 |
| CAS | 1079-02-3 |
| EINECS(EC#) | 214-089-0 |
| Molecular Formula | C7HD5O2 |
| MDL Number | MFCD00002400 |
| Molecular Weight | 127.15 |
| MOL File | 1079-02-3.mol |
Chemical Properties
| Appearance | white to light beige fine crystalline powder |
| Melting point | 121-125 °C(lit.) |
| Boiling point | 249 °C(lit.) |
| storage temp. | Refrigerator |
| solubility | Acetonitrile (Slightly), Chloroform (Slightly), Ethyl Acetate (Slightly), Methan |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D |
| InChIKey | WPYMKLBDIGXBTP-RALIUCGRSA-N |
| SMILES | C(C1C([2H])=C([2H])C([2H])=C([2H])C=1[2H])(=O)O |
| CAS Number Unlabeled | 65-85-0 |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Autoignition Temperature | 1061 °F |
| HS Code | 28459010 |
| 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 |