Trimethylsilyl isocyanate (HCID 70696)

名称と識別子

優先名称: Trimethylsilyl isocyanate
IUPAC: isocyanato(trimethyl)silane
現地名: イソシアン酸トリメチルシリル
英語名: Trimethylsilyl Isocyanate
分子式: C4H9NOSi
分子量: 115.21

名称と別名

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

名称をさらに表示

イソシアン酸トリメチルシリルトリメチルイソシアナトシラン(イソシアナト)トリメチルシラン(トリメチルシリル)イソシアナートトリメチルシリルイソシアナートイソシアナトトリメチルシランイソシアン酸トリメチルシリル, 85% IN HEXAMETHYLDISILOXANEイソシアン酸(トリメチルシリル)trimethylsilanylisocyanateDK481DKSI142DKFELEX0110isocyanatotrimethyl-silanSilane,isocyanatotriMethyl-Trimethylsilyl isocyanate,95%

isocyanato(trimethyl)silane(Trimethylsilyl)isocyanatetrimethylsilylisocyanateTMS isocyanateMFCD00001993Me3SiNCOTMSNCOC4H9NOSi

データベース識別子

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

物性

構造計算による物性

極性表面積: 29.4 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 7
形式電荷: 0
複雑度: 98.7

実験および物理化学的性質

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

物理化学的性質

融点: -49 °C · -49°C
沸点: 90 · 90-92 °C(lit.)
比重(密度): 0.851 g/mL · 0.851 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.396(lit.)
闪点: -2 °C · -2 °C
貯蔵温度: 2 · 2-8°C
溶解性: エーテルおよび o-ジクロロベンゼンと混和します。
外見: clear liquid
色: Colorless to Almost colorless
比重: 0.867 · 0.867
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 データベース: 1118 · 1118-02-1(CAS DataBase Reference)
EPAの化学物質情報: Isocyanatotrimethylsilane (1118-02-1)

化学的性質

化学的特性Clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

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

安全データ

F: 10-19-21
wgk: 3
tsca: TSCA listed
ridadr: UN 2478 3/PG 2
hs_code: 29319090
risk_code: 11-23-36/37-42
消防法: 危-4-1-II
hazard_code: F,T
safety_code: 23-26-36/37/39-45
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 3 InhalationEye Irrit. 2Flam. Liq. 2Resp. Sens. 1Skin Sens. 1STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing InformationSilane, isocyanatotrimethyl-: ACTIVE

応用分野 · 1 件

使用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.