(Trimethylsilyl)imidazole (HCID 28925)

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: (Trimethylsilyl)imidazole
IUPAC: imidazol-1-yl(trimethyl)silane
Lokaler Name: N-(Trimethylsilyl)imidazol
Englischer Name: N-(Trimethylsilyl)imidazole
Summenformel: C6H12N2Si
Molmasse: 140.26

Namen und Synonyme

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

Weitere Namen anzeigen

TMSITRIMETHYLSILYLIMIDAZOLETMS-IMIDAZOLESIM1-(TRIMETHYLSILYL)IMIDAZOLE, 97%1-(TRIMETHYLSILYL)IMIDAZOLE, 97%1-(TRIMETHYLSILYL)IMIDAZOLE, 97%

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 17,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 97,7

Experimentelle und physikochemische Eigenschaften

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]

Physikochemische Eigenschaften

Schmelzpunkt: -42 °C · -42 °C
Siedepunkt: 93 · 93-94 °C14 mm Hg(lit.)
Dichte: 0.957 g/mL · 0.957 g/mL at 20 °C
Brechungsindex: 20 · n20/D 1.475(lit.)
Flammpunkt: 42 °F · 42 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Chloroform
Aggregatzustand: Liquid
pka: 7.96 · 7.96±0.10(Predicted)
Wichte: 0.956 · 0.956
Farbe: Clear colorless to yellow
Wasserlöslichkeit: decomposes
BRN: 606148 · 606148
Stabilität: Air and Moisture Sensitive
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 Datenbank: 18156 · 18156-74-6(CAS DataBase Reference)
NIST chemische Informationen: 1 h-Imidazole, · 1h-Imidazole, 1-(trimethylsilyl)-(18156-74-6)
EPA chemische Informationen: 1 H-Imidazole, · 1H-Imidazole, 1-(trimethylsilyl)- (18156-74-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Sicherheitsdaten

F: 10-21
wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
hs_code: 29332990
RTECS-Nr.: NI8700000
risk_code: 11-36/37/38-14-40-34-37-35-20/21/22
hazard_code: F,Xi,C
safety_code: 16-26-33-37/39-45-36/37/39
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2
Selbstentzündungstemperatur: 540 °C DIN 51794

Chemie und Industrie

Verwendung und Herstellung

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

Anwendungen · 1 Eintrag

VerwendenN-(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.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Medetomidine 4-[(Trimethylsilyl)oxy]pent-3-en-2-on Chlortrimethylsilan 1,1'-Sulfonylbis-1H-imidazol N,N'-Bis(imidazole)dimethylsilane,tech-95 2-O,3-O,4-O,5-O-Tetrakis(trimethylsilyl)-D-ribose 1,1'-Thiocarbonylbis(imidazol)

Anbieter50 Anbieter

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]

Ergänzende Hinweise

DefinitionChEBI: 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.