3-アミノ-2-ブロモ-5-フルオロピリジン

2-Bromo-5-fluoropyridin-3-amine

HCID 40427367CAS 884495-03-8

部分構造検索類似構造を探す

基本情報

標準SMILES: Nc1cc(F)cnc1Br
InChIKey: QUZAKZBKMMUARE-UHFFFAOYSA-N
分子式: C5H4BrFN2
平均分子量: 191 g/mol
単同位体質量: 189.95418845

名称と識別子

優先名称: 2-Bromo-5-fluoropyridin-3-amine
IUPAC: 2-bromo-5-fluoropyridin-3-amine
現地名: 3-アミノ-2-ブロモ-5-フルオロピリジン
英語名: 3-Amino-2-bromo-5-fluoropyridine
分子式: C5H4BrFN2
分子量: 191

名称と別名

884495-03-82-bromo-5-fluoropyridin-3-amineDTXSID90654273RefChem:257348DTXCID90605023675-558-73-Amino-2-Bromo-5-fluoropyridineMFCD056624132-Bromo-5-fluoro-pyridin-3-amineSCHEMBL319244AKOS006295455CS-W015858

名称をさらに表示

3-アミノ-2-ブロモ-5-フルオロピリジン3-アミノ-2-ブロモ-5-フルオロピリジン, 97%3-Amino-2-bromo-5-fL2-Bromo-5-fluoro-3-pyridinamine2-broMo-5-fluoro-3-aMinopyridine3-Pyridinamine, 2-bromo-5-fluoro-2-Bromo-5-fluoro-pyridin-3-ylamine3-Amino-2-bromo-5-fluoropyridine,97%3-Amino-2-bromo-5-fluoropyridine 98%3-Amino-2-bromo-5-fluoropyridine ISO 9001：2015 REACH

AB21745AC-51632-bromo-5-fluoro-3-pyridylamineSCHEMBL297053633-Amino-2-bromo-5-fluoropyridine,SBB0518433-Amino-2-bromo-5-fluoropyridine, 97%SY030939

データベース識別子

CAS: 884495-03-8
PubChem CID: 40427367
DTXSID: DTXSID90654273
EC Number: 675-558-7

物性

構造計算による物性

XLogP: 1.3
極性表面積: 38.9 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 101

物理化学的性質

融点: 114 · 114-116 °C
沸点: 273.6 · 273.6±35.0 °C(Predicted)
比重(密度): 1.813 · 1.813±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: solid
酸解離定数(Pka): -0.5 · -0.50±0.10(Predicted)
色: White to off-white
InChI: InChI=1S/C5H4BrFN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
InChIKey: QUZAKZBKMMUARE-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(F)C=C1N

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (89.1%)

安全データ

wgk: 3
hs_code: 2933399990
risk_code: 22-41
hazard_code: Xn
safety_code: 26-39
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明3-Amino-2-bromo-5-fluoropyridine is a polyhalogenated pyridine with the chemical formula C5H4BrFN2. The compound has three functional groups: amino, bromine and fluorine, which change its reactivity. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.

上流・下流製品情報

上流原料

2-ブロモ-5-フルオロ-3-ニトロピリジンエタノール塩酸塩化スズ

サプライヤー50 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海伟聂化工科技有限公司13046668259 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]