(Trimethylsilyl)imidazole (HCID 28925)

개요

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.

이름 및 식별자

우선 이름: (Trimethylsilyl)imidazole
IUPAC: imidazol-1-yl(trimethyl)silane
현지명: 1-(트리메틸실일)-1H-이미다졸 ; N-(트리에틸실일)아미다졸
영어명: N-(Trimethylsilyl)imidazole
분자식: C6H12N2Si
분자량: 140.26

이름 및 동의어

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

이름 더 보기

1-(트리메틸실일)-1H-이미다졸N-(트리에틸실일)아미다졸TMSITRIMETHYLSILYLIMIDAZOLETMS-IMIDAZOLESIM1-(TRIMETHYLSILYL)IMIDAZOLE, 97%1-(TRIMETHYLSILYL)IMIDAZOLE, 97%1-(TRIMETHYLSILYL)IMIDAZOLE, 97%

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 17.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.7

실험 및 물리화학적 성질

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]

물리화학적 성질

녹는점: -42 °C · -42 °C
끓는 점: 93 · 93-94 °C14 mm Hg(lit.)
밀도: 0.957 g/mL · 0.957 g/mL at 20 °C
굴절률: 20 · n20/D 1.475(lit.)
인화점: 42 °F · 42 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 7.96 · 7.96±0.10(Predicted)
Specific Gravity: 0.956 · 0.956
색상: 무색~황색으로 투명함
수용성: 물에서 분해되다
BRN: 606148 · 606148
안정성: 공기 및 습기에 민감함
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
NIST: 1 h-Imidazole, · 1h-Imidazole, 1-(trimethylsilyl)-(18156-74-6)
EPA: 1 H-Imidazole, · 1H-Imidazole, 1-(trimethylsilyl)- (18156-74-6)

화학적 성질

Colorless transparent liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: NI8700000
ridadr: UN 1993 3/PG 2
HS 번호: 29332990
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
포장분류: II
위험 등급: 3
기존화학 물질: KE-34680
F 고인화성물질: 10-21
자연 발화 온도: 540 °C DIN 51794
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

용도N-(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.

일반 설명1-(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.

상·하류 제품 정보

하류 제품

5-[1-(2,3-디메틸페닐)에틸]-1H-이미다졸 4-Trimethylsiloxy-3-penten-2-one 트리메틸클로로실란 1,1′-술포닐디이미다졸 N,N'-BIS(이미다졸)디메틸실란,테크-95 2-O,3-O,4-O,5-O-테트라키스(트리메틸실릴)-D-리보스 1,1'-티오카르보닐디이미다졸

공급사50 곳

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]

추가 설명

정의ChEBI: 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.