(Trimethylsilyl)imidazole (HCID 28925)

概要

N-trimethylsilylimidazole is a member of the class of imidazoles in which the hydrogen at position 1 is replaced by a trimethylsilyl group. N-trimethylsilylimidazole is a derivatisation agent used in gas chromatography/mass spectrometry applications. It has a role as a chromatographic reagent. It is a member of imidazoles and a N-silyl compound.

名称と識別子

優先名称: (Trimethylsilyl)imidazole
IUPAC: imidazol-1-yl(trimethyl)silane
現地名: N-トリメチルシリルイミダゾールキット
英語名: N-(Trimethylsilyl)imidazole
分子式: C6H12N2Si
分子量: 140.26

名称と別名

18156-74-6N-(Trimethylsilyl)imidazole1-(Trimethylsilyl)-1H-imidazole1-(Trimethylsilyl)imidazole1H-Imidazole, 1-(trimethylsilyl)-TSIM(Trimethylsilyl)imidazoleImidazole, 1-(trimethylsilyl)-1-trimethylsilylimidazoleIMIDAZOLE, N-(TRIMETHYLSILYL)-PX8K4R8KWXAI3-52901

名称をさらに表示

TMS-イミダゾールN-トリメチルシリルイミダゾールN-トリメチルシリルイミダゾールキットTMSイミダゾール1-(トリメチルシリル)-1H-イミダゾール1-トリメチルシリル-1H-イミダゾール1-(トリメチルシリル)イミダゾールケイ素N-(トリメチルシリル)イミダゾールトリメチルシリルイミダゾールSIMキットTMSIキットTMS-イミダゾールキットN‐(トリメチルシリル)イミダゾール1-(トリメチルシリル)イミダゾール1-トリメチルシリルイミダゾールTMSITMSITRIMETHYLSILYLIMIDAZOLETMS-IMIDAZOLESIM1-(TRIMETHYLSILYL)IMIDAZOLE, 97%1-(TRIMETHYLSILYL)IMIDAZOLE, 97%1-(TRIMETHYLSILYL)IMIDAZOLE, 97%

N-trimethylsilylimidizoleNSC-139860DTXSID5066326tmsimRefChem:428844DTXCID3035765242-040-3N-Trimethylsilylimidazole

データベース識別子

CAS: 18156-74-6
PubChem CID: 28925
DTXSID: DTXSID5066326
ChEMBL: CHEMBL1565732
ChEBI: CHEBI:85063
UNII: PX8K4R8KWX
EC Number: 242-040-3
Nikkaji: J53.639C

物性

構造計算による物性

極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 97.7

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Imidazoles

SpringerMaterials Properties29Si nuclear magnetic resonance spectrum

Solubility14.6 [ug/mL] (The mean of the results at pH 7.4)

Physical DescriptionColorless or light yellow liquid; [Alfa Aesar MSDS]

物理化学的性質

融点: -42 °C · -42 °C
沸点: 93 · 93-94 °C14 mm Hg(lit.)
比重(密度): 0.957 g/mL · 0.957 g/mL at 20 °C
屈折率: 20 · n20/D 1.475(lit.)
闪点: 42 °F · 42 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: クロロホルム
外見: 液体
酸解離定数(Pka): 7.96 · 7.96±0.10(Predicted)
比重: 0.956 · 0.956
色: 無色透明～黄色
水溶解度: 分解する
BRN: 606148 · 606148
安定性: 空気と湿気に敏感
InChI: 1S/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3
InChIKey: YKFRUJSEPGHZFJ-UHFFFAOYSA-N
SMILES: C[Si](C)(C)n1ccnc1
CAS データベース: 18156 · 18156-74-6(CAS DataBase Reference)
NISTの化学物質情報: 1 h-Imidazole, · 1h-Imidazole, 1-(trimethylsilyl)-(18156-74-6)
EPAの化学物質情報: 1 H-Imidazole, · 1H-Imidazole, 1-(trimethylsilyl)- (18156-74-6)

化学的性質

化学的特性Colorless transparent liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (56.7%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 90 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1H-Imidazole, 1-(trimethylsilyl)-

Status: Active Update: 14-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33681

1H-Imidazole, 1-(trimethylsilyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses decreased immune response in intraperitoneal lethal-dose studies of mice; [RTECS] Decomposed by water; An irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 2 (56.7%)

安全データ

F: 10-21
wgk: 3
tsca: TSCA listed
rtecs: NI8700000
ridadr: UN 1993 3/PG 2
hs_code: 29332990
risk_code: 11-36/37/38-14-40-34-37-35-20/21/22
消防法: 危-4-1-II
hazard_code: F,Xi,C
safety_code: 16-26-33-37/39-45-36/37/39
hazard_class: 3
packing_group: II
自然発火温度: 540 °C DIN 51794
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information1H-Imidazole, 1-(trimethylsilyl)-: ACTIVE

応用分野 · 2 件

使用N-(Trimethylsilyl)imidazole is a silylating agent for alcohols and 1,3-dicarbonyl compounds; reaction with esters to give imidazolides; preparation of O-trimethylsilyl monothioacetals; aromatization of the A-ring of steroids. It participates in the reactions of Hydroxyl Silylation Reactions, Silyl Aminal Formation Reactions, Nitrogen Silylation Reactions, Acyl Imidazole Formation, Michael Addition Reactions, Substitution Reactions, Phosphoroimidazolidate Formation, and other uses.

一般的な説明1-(Trimethylsilyl)imidazole (TMSIM) has high silyl donor ability. It does not react with amino groups and also does not help in formation of enol-ether on unprotected ketone groups. It is useful as a silylating agent for ecdysones, norepinephrine, dopamine, steroids, sugars, sugar phosphates and ketose isomers.

上流・下流製品情報

下流製品

メデトミジン 4-トリメチルシリルオキシ-3-ペンテン-2-オンクロロトリメチルシラン 1,1'-スルホニルビス(1H-イミダゾール)N,N'-Bis(imidazole)dimethylsilane,tech-95 2-O,3-O,4-O,5-O-テトラキス(トリメチルシリル)-D-リボース 1,1'-チオカルボニルジイミダゾール

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義ChEBI: A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a trimethylsilyl group. N-trimethylsilylimidazole is a derivatisation agent used in gas chromatography/mass spectrometry applications.