CAS 941685-08-1 4-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine (HCID 57477561)

기본 정보

CAS: 941685-08-1
표준 SMILES: C[Si](C)(C)CCOCn1ccc2c(Br)ccnc21
InChIKey: DRANOGPOHXHUQP-UHFFFAOYSA-N
분자식: C13H19BrN2OSi
평균 분자량: 327.29 g/mol

이름 및 식별자

우선 이름: 4-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
IUPAC: 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
영어명: 1H-Pyrrolo[2,3-b]pyridine, 4-broMo-1-[[2-(triMethylsilyl)ethoxy]Methyl]-
분자식: C13H19BrN2OSi
분자량: 327.29

이름 및 동의어

941685-08-14-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine4-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine4-BROMO-1-([2-(TRIMETHYLSILYL)ETHOXY]METHYL)-1H-PYRROLO[2,3-B]PYRIDINE4-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo(2,3-b)pyridine4-Bromo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrolo[2,3-b]pyridineRefChem:518861890-208-5MFCD155292172-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane1H-Pyrrolo[2,3-b]pyridine, 4-bromo-1-[[2-(trimethylsilyl)ethoxy]methyl]-SCHEMBL101528

이름 더 보기

SCHEMBL29514152DRANOGPOHXHUQP-UHFFFAOYSA-NRMB68508SB13963AS-83403DA-21462SY200150CS-0004649

데이터베이스 식별자

CAS: 941685-08-1
PubChem CID: 57477561

물성

구조 계산 물성

극성 표면적: 27.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 18
형식 전하: 0
복잡도: 272

물리화학적 성질

끓는 점: 382 · 382.0±37.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 4.3 · 4.30±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.