CAS 381233-96-1 2-Amino-5-bromo-3-iodopyridine (HCID 1516508)

基本情報

CAS: 381233-96-1
標準SMILES: Nc1ncc(Br)cc1I
InChIKey: XPERZSKJGNUSHI-UHFFFAOYSA-N
分子式: C5H4BrIN2
平均分子量: 298.91 g/mol
単同位体質量: 297.86026

名称と識別子

優先名称: 2-Amino-5-bromo-3-iodopyridine
IUPAC: 5-bromo-3-iodopyridin-2-amine
現地名: 2-アミノ-5-ブロモ-3-ヨードピリジン
英語名: 2-AMINO-5-BROMO-3-IODOPYRIDINE
分子式: C5H4BrIN2
分子量: 298.91

名称と別名

381233-96-12-Amino-5-bromo-3-iodopyridineDTXSID90363974RefChem:255662DTXCID00315020622-993-55-Bromo-3-iodopyridin-2-amine2-Amino-3-iodo-5-bromopyridine5-bromo-3-iodo-pyridin-2-ylamineMFCD066590002-Pyridinamine, 5-bromo-3-iodo-SCHEMBL4618937

名称をさらに表示

2-アミノ-5-ブロモ-3-ヨードピリジン5-Bromo-3-iodo-2-aminopyridine5-Bromo-3-iodo-2-pyridinamine2-PyridinaMine,5-broMo-3-iodo-2-Amino-5-bromo-3-iodopyridine 96%2-AMINO-5-BROMO-3-IODOPYRIDINE ISO 9001：2015 REACH

5-Bromo-3-iodopyridine-2-amineAKOS005257759CS-W003313AB25852AC-91262-Amino-5-bromo-3-iodopyridine, 97%5-bromo-3-iodo-pyridin-2-amine2-Amine-5-bromo-3-iodopyridine

データベース識別子

CAS: 381233-96-1
PubChem CID: 1516508
DTXSID: DTXSID90363974
EC Number: 622-993-5
Nikkaji: J3.270.796C

物性

構造計算による物性

XLogP: 1.8
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: 2
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: 111 · 111-112°C
沸点: 308.2 · 308.2±42.0 °C(Predicted)
比重(密度): 2.426 · 2.426±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
酸解離定数(Pka): 2.25 · 2.25±0.49(Predicted)
色: White to Yellow to Orange
InChI: InChI=1S/C5H4BrIN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
InChIKey: XPERZSKJGNUSHI-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(Br)C=C1I
CAS データベース: 381233 · 381233-96-1(CAS DataBase Reference)

化学的性質

化学的特性Brown powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.