5-ブロモ-4-クロロ-2-メトキシピリジン

5-Bromo-4-chloro-2-methoxypyridine

HCID 23133649

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 851607-27-7
標準SMILES: COc1cc(Cl)c(Br)cn1
InChIKey: KTPLBYFKHPABLJ-UHFFFAOYSA-N
分子式: C6H5BrClNO
平均分子量: 222.47 g/mol
単同位体質量: 220.9243

名称と識別子

優先名称: 5-Bromo-4-chloro-2-methoxypyridine
IUPAC: 5-bromo-4-chloro-2-methoxypyridine
現地名: 5-ブロモ-4-クロロ-2-メトキシピリジン
英語名: 5-Bromo-4-chloro-2-methoxypyridine
分子式: C6H5BrClNO
分子量: 222.47

名称と別名

5-BROMO-4-CHLORO-2-METHOXYPYRIDINE851607-27-7DTXSID90630890RefChem:301862DTXCID00581642809-859-3MFCD17014994Pyridine, 5-bromo-4-chloro-2-methoxy-5-Bromo-4-chloro-2-methoxy-pyridineSCHEMBL676674AKOS015998833CS-W006632

名称をさらに表示

5-ブロモ-4-クロロ-2-メトキシピリジン5-Bromo-4-chloro-2-methoxypyridine 98%

AS-18571SY111011EN300-252937AMY8055FT-0699069A852944DB-368521F211152

データベース識別子

CAS: 851607-27-7
PubChem CID: 23133649
DTXSID: DTXSID90630890
EC Number: 809-859-3

物性

構造計算による物性

XLogP: 2.5
極性表面積: 22.1 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: 114

物理化学的性質

沸点: 233 · 233.0±35.0 °C(Predicted)
比重(密度): 1.65 · 1.650±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): 2.23 · 2.23±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, 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.；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.