3-브로모-1-(트리이소프로필실릴)피롤

3-Bromo-1-(triisopropylsilyl)pyrrole

HCID 2763302CAS 87630-36-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)[Si](C(C)C)(C(C)C)n1ccc(Br)c1
InChIKey: CNAUTMPRKBSDLH-UHFFFAOYSA-N
분자식: C13H24BrNSi
평균 분자량: 302.33 g/mol
단동위원소 질량: 301.0861384

이름 및 식별자

우선 이름: 3-Bromo-1-(triisopropylsilyl)pyrrole
IUPAC: (3-bromopyrrol-1-yl)-tri(propan-2-yl)silane
현지명: 3-브로모-1-(트리이소프로필실릴)피롤
영어명: 3-Bromo-1-(triisopropylsilyl)pyrrole
분자식: C13H24BrNSi
분자량: 302.33

이름 및 동의어

3-Bromo-1-(triisopropylsilyl)pyrrole87630-36-2DTXSID90376882RefChem:277177DTXCID90327910678-039-33-Bromo-1-(triisopropylsilyl)-1H-pyrrole3-Bromo-1-(triisopropylsilyl)-1H -pyrrole3-bromo-1-[tris(propan-2-yl)silyl]-1H-pyrroleMFCD013211361H-Pyrrole, 3-bromo-1-[tris(1-methylethyl)silyl]-(3-bromopyrrol-1-yl)-tri(propan-2-yl)silane

이름 더 보기

3-브로모-1-(트리이소프로필실릴)피롤3-Bromo-1-[tris(1-methylethyl)silyl]-1H-pyrroleDK9413-BroMo-1-(triisopropylsi...3-Bromo-N-(triisopropylsilyl)pyrrole1-(TRIISOPROPYLSILYL)-3-BROMO-PYRROLE3-Bromo-1(triisopropysilyl)pyrrole

(3-Bromopyrrol-1-yl)-triisopropyl-silane3-bromo-N-triisopropylsilylpyrroleS031293-Bromo-1-triisopropylsilyl pyrroleSY031245EN300-109530C13H24BrNSiBromotriisopropylsilylpyrrole

데이터베이스 식별자

CAS: 87630-36-2
PubChem CID: 2763302
DTXSID: DTXSID90376882
EC Number: 678-039-3
Nikkaji: J357.410E

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: 16
형식 전하: 0
복잡도: 206

물리화학적 성질

끓는 점: 100 °C · 100 °C(Press: 0.1 Torr)
밀도: 1 · 1,16 g/cm3
굴절률: 20 · n20/D1.519
인화점: 110 ℃ · >110℃
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): -5.67 · -5.67±0.70(Predicted)
색상: 검은색
InChI: InChI=1S/C13H24BrNSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3
InChIKey: CNAUTMPRKBSDLH-UHFFFAOYSA-N
SMILES: N1([Si](C(C)C)(C(C)C)C(C)C)C=CC(Br)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 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 (66.7%)

안전 데이터

wgk: 3
HS 번호: 2933.99.9701
risk_code: 36/37/38-20/21/22
hazard_code: Xn
safety_code: 26-36/37/39-36/37

화학 및 산업

응용 분야

용도3-Bromo-1-(triisopropylsilyl)pyrrole is a pyrrole analogue mainly used in the field of organic synthesis. It can be used to prepare other heterocyclic compounds such as 1-(triisopropylsilyl)pyrrole and 3-Butadienyl-1-tosylpyrroles.