138704-14-0
| Name | Cocaine (N-Methyl-d3) |
| CAS | 138704-14-0 |
| Molecular Formula | C17H21NO4 |
| Molecular Weight | 303.353 |
| MOL File | 138704-14-0.mol |
Chemical Properties
| Melting point | 91-930C |
| storage temp. | Controlled Substance, -20°C Freezer |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| color | White to Off-White |
| Major Application | forensics and toxicology |
| InChI | 1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/i1D3 |
| InChIKey | ZPUCINDJVBIVPJ-FIBGUPNXSA-N |
| SMILES | N1(C2C(C(CC1CC2)OC(=O)c3ccccc3)C(=O)OC)C([2H])([2H])[2H] |
Safety Data
| Symbol(GHS) |    GHS02,GHS06,GHS07 |
| Signal word | Danger |
| Hazard statements | H225-H311-H332-H319-H317 |
| Precautionary statements | P210-P233-P240-P241-P242-P243-P261-P264-P271-P272-P280-P303+P361+P353-P304+P340-P305+P351+P338-P312-P321-P361+P364-P333+P313-P337+P313-P370+P378-P403+P235-P405-P501 |
| WGK Germany | WGK 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |