1-(트리이소프로필실릴)피롤

N-Triisopropylsilylpyrrole

HCID 145136CAS 87630-35-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cccc1
InChIKey: FBQURXLBJJNDBX-UHFFFAOYSA-N
분자식: C13H25NSi
평균 분자량: 223.43 g/mol
단동위원소 질량: 223.17562633

이름 및 식별자

우선 이름: N-Triisopropylsilylpyrrole
IUPAC: tri(propan-2-yl)-pyrrol-1-ylsilane
현지명: 1-(트리이소프로필실릴)피롤
영어명: 1-(TRIISOPROPYLSILYL)PYRROLE
분자식: C13H25NSi
분자량: 223.43

이름 및 동의어

87630-35-1N-TriisopropylsilylpyrroleDTXSID50236539RefChem:831199DTXCID301590301-(Triisopropylsilyl)pyrrole1-(Triisopropylsilyl)-1H-pyrrole1-[tris(propan-2-yl)silyl]-1H-pyrroletri(propan-2-yl)-pyrrol-1-ylsilaneMFCD00054932C13H25NSi1H-Pyrrole, 1-[tris(1-methylethyl)silyl]-

이름 더 보기

1-(트리이소프로필실릴)피롤1-(트라이아이소프로필실릴)피롤1-[Tris(1-Methylethyl)silyl]-1H-pyrroleDK940DKSI181N-TRIISOPROPYLSILYL PYRROLE1-(Triisopropylsilyl)pyrrole 95%Tri-iso-propyl(pyrrol-1-yl)silane

1-triisopropylsilylpyrroleTIPS-pyrroleN-(Triisopropylsilyl)pyrroleSCHEMBL295451-triisopropylsilanyl-1H-pyrrole1-(TRIISOPROPYLSILYL)PYRROLE?s18025CS-10737

데이터베이스 식별자

CAS: 87630-35-1
PubChem CID: 145136
DTXSID: DTXSID50236539
EC Number: 677-822-7
Nikkaji: J308.003J

물성

구조 계산 물성

극성 표면적: 4.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 171

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

끓는 점: 78 °C0.4 · 78 °C0.4 mm Hg(lit.)
밀도: 0.904 g/mL · 0.904 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.492(lit.)
인화점: 224 °F · 224 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): -2.55 · -2.55±0.70(Predicted)
Specific Gravity: 0.904 · 0.904
색상: 무색 내지 거의 무색
수용성: 물과 섞이지 않습니다.
BRN: 3540663 · 3540663
InChI: 1S/C13H25NSi/c1-11(2)15(12(3)4,13(5)6)14-9-7-8-10-14/h7-13H,1-6H3
InChIKey: FBQURXLBJJNDBX-UHFFFAOYSA-N
SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cccc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H332 (86.7%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P317, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

안전 데이터

wgk: 3
HS 번호: 2933998090
risk_code: 20-22-36
hazard_code: Xn
safety_code: 24/25-26
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

일반 설명1-(Triisopropylsilyl)pyrrole (TISP), a heterocyclic building block, is a pyrrole derivative. TISP has been reported to generate pyrrolic cation radicals during cyclovoltammetric studies, via electroreduction. It participates in various electrophilic substitution reactions specifically at β-position, via reaction with various electrophilic reagents (Br+, I+,NO2+,etc).