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| | 1-ADAMANTYL ISOTHIOCYANATE Basic information |
| | 1-ADAMANTYL ISOTHIOCYANATE Chemical Properties |
| Melting point | 166-168 °C (lit.) | | density | 1.35 | | refractive index | 1.5500 (estimate) | | form | powder to crystal | | color | White to Orange to Green | | InChI | InChI=1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2 | | InChIKey | YPKFLUARLJRPQM-UHFFFAOYSA-N | | SMILES | C12(N=C=S)CC3CC(CC(C3)C1)C2 | | CAS DataBase Reference | 4411-26-1(CAS DataBase Reference) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-37/39 | | RIDADR | 2811 | | WGK Germany | 3 | | HS Code | 2930.90.9250 | | HazardClass | 6.1(b) | | PackingGroup | III | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 1-ADAMANTYL ISOTHIOCYANATE Usage And Synthesis |
| Chemical Properties | white crystalline powder | | Uses | 1-Adamantyl isothiocyanate was used in the synthesis of:
- tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligand
- 1-adamantyl-3-(2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-ylamino)alkane)thiourea 2,3-dihydroxysuccinates
| | General Description | 1-Adamantyl isothiocyanate undergoes nucleophilic addition reaction with pyrrolidine, piperidine, 3-hydroxypiperidine and 4-hydroxypiperidine to yield N′,N′-disubstituted N-(1-adamantyl)-thiourea derivatives. | | Purification Methods | Dissolve it in Et2O, wash with H2O, dry (Na2SO4), evaporate and sublime the residue in a vacuum at 140o, then recrystallise it from MeOH. Irritant. [Stetter & Wulff Chem Ber 95 2302 1962.] |
| | 1-ADAMANTYL ISOTHIOCYANATE Preparation Products And Raw materials |
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