CAS 26163-07-5 5-bromo-N,N-dimethylpyridin-2-amine (HCID 3803041)

基本情報

CAS: 26163-07-5
標準SMILES: CN(C)c1ccc(Br)cn1
InChIKey: XIMCGXXYEMOWQP-UHFFFAOYSA-N
分子式: C7H9BrN2
平均分子量: 201.06 g/mol
単同位体質量: 199.99491039

名称と識別子

優先名称: 5-bromo-N,N-dimethylpyridin-2-amine
IUPAC: 5-bromo-N,N-dimethylpyridin-2-amine
現地名: 5-ブロモ-2-(ジメチルアミノ)ピリジン臭化物
英語名: 5-Bromo-2-(dimethylamino)pyridine
分子式: C7H9BrN2
分子量: 201.06

名称と別名

26163-07-55-bromo-N,N-dimethylpyridin-2-amineDTXSID40396651RefChem:302000DTXCID70347510963-275-45-BROMO-2-DIMETHYLAMINOPYRIDINE5-Bromo-2-(dimethylamino)pyridine2-Pyridinamine, 5-bromo-N,N-dimethyl-MFCD000994862-(N,N-dimethylamino)-5-bromopyridine5-bromo-N,N-dimethyl-2-pyridinamine

名称をさらに表示

5-ブロモ-2-(ジメチルアミノ)ピリジン臭化物5-ブロモ-2-(ジメチルアミノ)ピリジン5-ブロモ-N,N-ジメチルピリジン-2-アミン3-Bromo-6-dimethylaminopyridine(5-bromo-pyridin-2-yl)-dimethylamine5-Bromo-N,N-dimethylpyridin-2-ylamine5-Bromo-2-(dimethylamino)pyridine ISO 9001：2015 REACH

5-bromo-N,N-dimethyl-pyridin-2-amine5-BROMO-2-(N,N-DIMETHYL-1-YL)PYRIDINESCHEMBL3042322-dimethylamino-5-bromopyridine5-bromo-2-dimethylamino-pyridineXIMCGXXYEMOWQP-UHFFFAOYSA-NAKOS010631022AB03372

データベース識別子

CAS: 26163-07-5
PubChem CID: 3803041
DTXSID: DTXSID40396651
EC Number: 963-275-4
Nikkaji: J1.216.013E

物性

構造計算による物性

XLogP: 2
極性表面積: 16.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 106

物理化学的性質

融点: 69 · 69-71 °C
沸点: 253.5 · 253.5±20.0 °C(Predicted)
比重(密度): 1.469 · 1.469±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: solid
酸解離定数(Pka): 5.31 · 5.31±0.10(Predicted)
InChI: InChI=1S/C7H9BrN2/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,1-2H3
InChIKey: XIMCGXXYEMOWQP-UHFFFAOYSA-N
SMILES: C1(N(C)C)=NC=C(Br)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.