ChemicalBook--->CAS DataBase List--->1118-02-1

1118-02-1

1118-02-1 Structure

1118-02-1 Structure
IdentificationMore
[Name]

TRIMETHYLSILYL ISOCYANATE
[CAS]

1118-02-1
[Synonyms]

ISOCYANATOTRIMETHYLSILANE
TRIMETHYLSILYL ISOCYANATE
isocyanatotrimethyl-silan
Isocyanic acid, trimethylsilyl ester
Trimethylisocyanatosilane
trimethylsilanylisocyanate
TRIMETHYLSILYL ISOCYANATE, STAB.
TRIMETHYLSILYLISOCYANATE ,75%
[EINECS(EC#)]

214-256-8
[Molecular Formula]

C4H9NOSi
[MDL Number]

MFCD00001993
[Molecular Weight]

115.21
[MOL File]

1118-02-1.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless liquid
[Melting point ]

-49°C
[Boiling point ]

90-92 °C(lit.)
[density ]

0.851 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.396(lit.)
[Fp ]

-2 °C
[storage temp. ]

2-8°C
[solubility ]

Miscible with ethers and o-dichlorobenzene.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Specific Gravity]

0.867
[Hydrolytic Sensitivity]

8: reacts rapidly with moisture, water, protic solvents
[Sensitive ]

Moisture Sensitive
[BRN ]

1744962
[InChI]

1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
[InChIKey]

NIZHERJWXFHGGU-UHFFFAOYSA-N
[SMILES]

C[Si](C)(C)N=C=O
[CAS DataBase Reference]

1118-02-1(CAS DataBase Reference)
[EPA Substance Registry System]

Isocyanatotrimethylsilane (1118-02-1)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS02,GHS06,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H317-H319-H331-H334-H335
[Precautionary statements ]

P210-P233-P280-P303+P361+P353-P304+P340+P311-P305+P351+P338
[Hazard Codes ]

F,T
[Risk Statements ]

R11:Highly Flammable.
R23:Toxic by inhalation.
R36/37:Irritating to eyes and respiratory system .
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2478 3/PG 2
[WGK Germany ]

3
[F ]

10-19-21
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29319090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Inhalation
Eye Irrit. 2
Flam. Liq. 2
Resp. Sens. 1
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid
[Uses]

Trimethylsilyl isocyanate is used in the preparation of 1-unsubstituted 4-(dialkylamino) imidazolin-2-ones. It finds application in the carbamoylation of aromatic hydrocarbons and alcohols. It is also used in the preparation of primary amides from Grignard reagents. Further, it is used in the synthesis of cyclic imides. It is also utilized for the synthesis of trifluoroacetyl isocyanate and cyclic imides. In addition to this, it is employed in the conversion of isocyanates to carbodiimides using cyclopentadienyl Mn(CO)3 catalysis.
[Application]

Trimethylsilyl Isocyanate was used in:
postsynthetic modification of isoreticular metal-organic framework-3;
synthesis of 1-unsubstituted 4-(dialkylamino) imidazolin-2-ones;
conversion of isocyanates to carbodiimides with cyclopentadienyl Fe(CO)2 or -Mn(CO)3 catalysis;
carbamoylation of aromatic hydrocarbons and alcohols
[Materials Uses]

Calcium caseinate and trimethylsilyl isocyanate could be linked in chemical synthesis, where trimethylsilyl isocyanate might be used to modify the surface of calcium caseinate for creating novel biomaterials, such as controlled-release drug delivery systems or protein-based coatings.
[Purification Methods]

Purify it by repeated fractionation as for the isothiocyanate. [Eaborn J Chem Soc 3077 1950, Beilstein 4 III 1861, 4 IV 4011.]
Spectrum DetailBack Directory
[Spectrum Detail]

TRIMETHYLSILYL ISOCYANATE(1118-02-1)1HNMR
TRIMETHYLSILYL ISOCYANATE(1118-02-1)IR1
TRIMETHYLSILYL ISOCYANATE(1118-02-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Trimethylsilyl isocyanate, 97%(1118-02-1)
[Alfa Aesar]

Trimethylsilyl isocyanate, 94%(1118-02-1)
[Sigma Aldrich]

1118-02-1(sigmaaldrich)
[TCI AMERICA]

Trimethylsilyl Isocyanate,>95.0%(GC)(1118-02-1)
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