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| | TRIMETHYLSILYL ISOTHIOCYANATE Basic information |
| Product Name: | TRIMETHYLSILYL ISOTHIOCYANATE | | Synonyms: | isothiocyanatotrimethyl-silan;Silane, isothiocyanatotrimethyl-;TRIMETHYLSILYL ISOTHIOCYANATE;Trimethylsilylisothiocyanate,94%;Trimethylsilyl isothiocyanate,97%;(TriMethylsilyl)isothiocyanate 99%;Trimethylsilyl Isothicyanate;ISOTHIOCYANATOTRIMETHYLSILANE | | CAS: | 2290-65-5 | | MF: | C4H9NSSi | | MW: | 131.27 | | EINECS: | 218-929-7 | | Product Categories: | | | Mol File: | 2290-65-5.mol |  |
| | TRIMETHYLSILYL ISOTHIOCYANATE Chemical Properties |
| Melting point | −32.8 °C(lit.) | | Boiling point | 143 °C(lit.) | | density | 0.931 g/mL at 25 °C(lit.) | | vapor density | >1 (vs air) | | refractive index | n20/D 1.482(lit.) | | Fp | 95 °F | | storage temp. | 2-8°C | | form | liquid | | Specific Gravity | 0.931 | | Water Solubility | Reacts with water. | | Hydrolytic Sensitivity | 8: reacts rapidly with moisture, water, protic solvents | | Sensitive | Moisture Sensitive | | BRN | 1745262 | | InChI | 1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3 | | InChIKey | XLTUPERVRFLGLJ-UHFFFAOYSA-N | | SMILES | C[Si](C)(C)N=C=S | | CAS DataBase Reference | 2290-65-5(CAS DataBase Reference) | | EPA Substance Registry System | Isothiocyanatotrimethylsilane (2290-65-5) |
| Hazard Codes | T | | Risk Statements | 10-23/24/25-36/37/38-42 | | Safety Statements | 23-26-36/37-45 | | RIDADR | UN 1992 3/PG 3 | | WGK Germany | 3 | | F | 10-19-21 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29319090 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3 |
| | TRIMETHYLSILYL ISOTHIOCYANATE Usage And Synthesis |
| Chemical Properties | clear colorless to light yellow liquid | | Uses | Trimethylsilyl isothiocyanate is used as derivatizing reagent during the synthesis of amino acid thiohydantoins. It participates in ring opening reaction of N-substituted aziridines and cyclohexene oxide. | | Uses | Trimethylsilyl isothiocyanate was used as derivatizing reagent during the synthesis of amino acid thiohydantoins. | | General Description | Trimethylsilyl isothiocyanate (TMS-ITC) reacts with fullerene-mixed peroxide C60(O)(OOtBu)4 to yield isothiocyanate derivative C60(NCS)(OH)(OOtBu)4. TMS-ITC undergoes condensation with ethyl 2-benzylamino-5-methyl-3-phenylcyclopent-1-enecarboxylate to yield 1-benzyl-5-methyl-7-phenyl-2-thioxo-1,2,3,5,6,7-hexahydrocyclopentapyrimidin-4-one. It participates in ring opening reaction of N-substituted aziridines and cyclohexene oxide. | | Purification Methods | The 1H NMR spectrum should have only one peak; if not purify it by repeated fractionation in an all-glass system using a 50cm (4mm internal diameter) column without packing. [Anderson J Am Chem Soc 69 3049 1947, Fehér & Blümcke Chem Ber 90 1934 1957, Neidleim & Hege Synthesis 51 1975, Beilstein 4 III 1861, 4 IV 4011.] |
| | TRIMETHYLSILYL ISOTHIOCYANATE Preparation Products And Raw materials |
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