CAS 952582-08-0 4-(6-Bromopyridin-3-yl)morpholine (HCID 23092131)

基本情報

CAS: 952582-08-0
標準SMILES: Brc1ccc(N2CCOCC2)cn1
InChIKey: KXPAVTLIMQDWAW-UHFFFAOYSA-N
分子式: C9H11BrN2O
平均分子量: 243.1 g/mol
単同位体質量: 242.00547507

名称と識別子

優先名称: 4-(6-Bromopyridin-3-yl)morpholine
IUPAC: 4-(6-bromo-3-pyridinyl)morpholine
英語名: 4-(6-bromopyridin-3-yl)morpholine
分子式: C9H11BrN2O
分子量: 243.1

名称と別名

4-(6-Bromopyridin-3-yl)morpholine952582-08-0DTXSID40630542RefChem:288369DTXCID10581294MFCD118695724-(6-Bromo-3-pyridyl)morpholineSCHEMBL1735452AKOS0159396744-(6-Bromo-pyridin-3-yl)-morpholineMB10311DS-16536

名称をさらに表示

4-(6-Bromopyridin-3-yl)2-Bromo-5-morpholinopyridine4-(6-bromopyridine-3-yl) morpholineMorpholine, 4-(6-bromo-3-pyridinyl)-

SY015884CS-0036637AMY23078FT-0701785SCHEMBL29964637DB-080204F2343444-(6-Bromopyridin-3-yl)morpholine, 952582-08-0, PubChem22065, CTK8C4254, MolPort-021-796-260, 2-BROMO-5-MORPHOLINOPYRIDINE, ANW-71396, AKOS015939674, MB10311, RL06005, AK-89524, KB-34663

データベース識別子

CAS: 952582-08-0
PubChem CID: 23092131
DTXSID: DTXSID40630542
EC Number: 809-772-0

物性

構造計算による物性

XLogP: 1.6
極性表面積: 25.4 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 162

物理化学的性質

沸点: 372.3 · 372.3±42.0 °C(Predicted)
比重(密度): 1.499 · 1.499±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
酸解離定数(Pka): 2.37 · 2.37±0.12(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.