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ChemicalBook--->CAS DataBase List--->2290-65-5

2290-65-5

2290-65-5 Structure

2290-65-5 Structure
IdentificationMore
[Name]

TRIMETHYLSILYL ISOTHIOCYANATE
[CAS]

2290-65-5
[Synonyms]

ISOTHIOCYANATOTRIMETHYLSILANE
TRIMETHYLSILYL ISOTHIOCYANATE
isothiocyanatotrimethyl-silan
Silane, isothiocyanatotrimethyl-
Trimethylsilylisothiocyanate,94%
[EINECS(EC#)]

218-929-7
[Molecular Formula]

C4H9NSSi
[MDL Number]

MFCD00004797
[Molecular Weight]

131.27
[MOL File]

2290-65-5.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[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
[InChIKey]

XLTUPERVRFLGLJ-UHFFFAOYSA-N
[CAS DataBase Reference]

2290-65-5(CAS DataBase Reference)
[EPA Substance Registry System]

Isothiocyanatotrimethylsilane (2290-65-5)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R10:Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 1992 3/PG 3
[WGK Germany ]

3
[F ]

10-19-21
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29319090
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

Trimethylsilyl isothiocyanate was used as derivatizing reagent during the synthesis of amino acid thiohydantoins.
[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.
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

TRIMETHYLSILYL ISOTHIOCYANATE(2290-65-5)FT-IR
TRIMETHYLSILYL ISOTHIOCYANATE(2290-65-5)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Trimethylsilyl isothiocyanate, 97%(2290-65-5)
[Alfa Aesar]

Trimethylsilyl isothiocyanate, 94%(2290-65-5)
[Sigma Aldrich]

2290-65-5(sigmaaldrich)
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