CAS 1118-02-1 Trimethylsilyl isocyanate (HCID 70696)

Names & identifiers

Preferred name: Trimethylsilyl isocyanate
IUPAC: isocyanato(trimethyl)silane
English name: Trimethylsilyl Isocyanate
Molecular formula: C4H9NOSi
Molecular weight: 115.21

Names & synonyms

Trimethylsilyl isocyanateIsocyanatotrimethylsilaneSilane, isocyanatotrimethyl-TrimethylisocyanatosilaneEINECS 214-256-8DTXSID3061504Isocyanic acid, trimethylsilyl esterRefChem:191815DTXCID2033239214-256-8NIZHERJWXFHGGU-UHFFFAOYSA-N1118-02-1

Show more names

trimethylsilanylisocyanateDK481DKSI142DKFELEX0110isocyanatotrimethyl-silanSilane,isocyanatotriMethyl-Trimethylsilyl isocyanate,95%

isocyanato(trimethyl)silane(Trimethylsilyl)isocyanatetrimethylsilylisocyanateTMS isocyanateMFCD00001993Me3SiNCOTMSNCOC4H9NOSi

Database identifiers

CAS: 1118-02-1
PubChem CID: 70696
DTXSID: DTXSID3061504
EC Number: 214-256-8
Nikkaji: J203.339I

Properties

Computed structural properties

Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 98.7

Experimental & physicochemical properties

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: -49 °C · -49°C
Boiling point: 90 · 90-92 °C(lit.)
Density: 0.851 g/mL · 0.851 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.396(lit.)
Flash point: -2 °C · -2 °C
storage temp.: 2 · 2-8°C
solubility: Miscible with ethers and o-dichlorobenzene.
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 0.867 · 0.867
Hydrolytic Sensitivity: 8 · 8: reacts rapidly with moisture, water, protic solvents
Sensitive: Moisture Sensitive
BRN: 1744962 · 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 · 1118-02-1(CAS DataBase Reference)
EPA Substance Registry System: Isocyanatotrimethylsilane (1118-02-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS06,GHS08
Signal word: Danger
Hazard statements: 225 · H225-H317-H319-H331-H334-H335
Precautionary statements: 210 · P210-P233-P280-P303+P361+P353-P304+P340+P311-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,T
Risk Statements: 11 · 11-23-36/37-42
Safety Statements: 23 · 23-26-36/37/39-45
RIDADR: 2478 · UN 2478 3/PG 2
WGK Germany: 3 · 3
F: 10 · 10-19-21
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29319090 · 29319090
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 InhalationEye · Acute Tox. 3 InhalationEye Irrit. 2Flam. Liq. 2Resp. Sens. 1Skin Sens. 1STOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

F: 10-19-21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2478 3/PG 2
hs_code: 29319090
risk_code: 11-23-36/37-42
Signal word: Danger
Symbol(GHS): GHS02,GHS06,GHS08
hazard_code: F,T
safety_code: 23-26-36/37/39-45
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H317-H319-H331-H334-H335
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 3 InhalationEye Irrit. 2Flam. Liq. 2Resp. Sens. 1Skin Sens. 1STOT SE 3
Precautionary statements: P210-P233-P280-P303+P361+P353-P304+P340+P311-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationSilane, isocyanatotrimethyl-: ACTIVE

Applications · 1 item

UsesTrimethylsilyl 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.