Skip to the beginning of the images gallery

(Trimethylsilyl)isocyanate - 95%, high purity , CAS No.1118-02-1

COA

Grade & Purity:

≥95%

Cas Number: 1118-02-1
Molecular Weight: 115.21
Beilstein Registry Number: 4(3)1861
MDL number: MFCD00001993
PubChem CID: 70696

In stock

Item Number

T466834

Grouped product items
SKU	Size	Availability	Price
T466834-1g	1g	1	$19.90
T466834-5g	5g	1	$61.90
T466834-25g	25g	1	$160.90
T466834-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$480.90

Basic Description

Synonyms	Isocyanatotrimethylsilane \| TMS isocynate \| 5-(1,2-Dihydroxy-ethyl)-3,4-dihydroxy-dihydro-furan-2-one \| TMSisocyanate \| TMS-isocyanate \| (Trimethylsilyl)isocyanate, 85% \| trimethyisiiyiisocyanate \| DL-Alanine, N-DL-alanyl- \| DTXSID3061504 \| isocyanato(tri
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Description Trimethylsilyl isocyanate was used in:postsynthetic modification of isoreticular metal-organic framework-3synthesis of 1-unsubstituted 4-(dialkylamino) imidazolin-2-onesconversion of isocyanates to carbodiimides with cyclopentadienyl Fe(CO)2or -Mn(CO)3catalysiscarbamoylation of aromatic hydrocarbons and alcohols

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organometallic compounds
  - Class Organometalloid compounds
    - Subclass Organosilicon compounds
      - Level5 Organoheterosilanes
        Level6 Trialkylheterosilanes

Kingdom	Organic compounds
Superclass	Organometallic compounds
Class	Organometalloid compounds
Subclass	Organosilicon compounds
Intermediate Tree Nodes	Organoheterosilanes
Direct Parent	Trialkylheterosilanes
Alternative Parents	Organic metalloid salts N-silyl compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trialkylheterosilane - N-silyl compound - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	isocyanato(trimethyl)silane
INCHI	InChI=1S/C4H9NOSi/c1-7(2,3)5-4-6/h1-3H3
InChIKey	NIZHERJWXFHGGU-UHFFFAOYSA-N
Smiles	C[Si](C)(C)N=C=O
Isomeric SMILES	C[Si](C)(C)N=C=O
PubChem CID	70696
Molecular Weight	115.21
Beilstein	4(3)1861
Reaxy-Rn	1744962

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

13 results found

Lot Number	Certificate Type	Date	Item
D2530282	Certificate of Analysis	Apr 18, 2025	T466834
D2530283	Certificate of Analysis	Apr 18, 2025	T466834
D2530284	Certificate of Analysis	Apr 18, 2025	T466834
D2530285	Certificate of Analysis	Apr 18, 2025	T466834
D2530286	Certificate of Analysis	Apr 18, 2025	T466834
C2525776	Certificate of Analysis	Apr 12, 2024	T466834
L2410102	Certificate of Analysis	Dec 07, 2023	T466834
F2425131	Certificate of Analysis	Dec 07, 2023	T466834
L2314313	Certificate of Analysis	Dec 07, 2023	T466834
L2314314	Certificate of Analysis	Dec 07, 2023	T466834
L2314315	Certificate of Analysis	Dec 07, 2023	T466834
G2402057	Certificate of Analysis	Dec 07, 2023	T466834
L2314312	Certificate of Analysis	Dec 07, 2023	T466834

Show more⌵

Chemical and Physical Properties

Sensitivity	Moisture sensitive;Heat sensitive
Refractive Index	1.396
Flash Point(°F)	28°F
Flash Point(°C)	-2°C(lit.)
Boil Point(°C)	90-92°C
Melt Point(°C)	-49°C
Molecular Weight	115.210 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	115.045 Da
Monoisotopic Mass	115.045 Da
Topological Polar Surface Area	29.400 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	98.700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration