CAS 686768-50-3 3-Ethynyl-5-methoxypyridine (HCID 21097349)

基本情報

CAS: 686768-50-3
標準SMILES: C#Cc1cncc(OC)c1
InChIKey: YZVXHJYUMFFDQQ-UHFFFAOYSA-N
分子式: C8H7NO
平均分子量: 133.15 g/mol
単同位体質量: 133.05276385

名称と識別子

優先名称: 3-Ethynyl-5-methoxypyridine
IUPAC: 3-ethynyl-5-methoxypyridine
英語名: Pyridine, 3-ethynyl-5-methoxy- (9CI)
分子式: C8H7NO
分子量: 133.15

名称と別名

3-ethynyl-5-methoxypyridine686768-50-3DTXSID80610727RefChem:279312DTXCID80561482830-954-0PYRIDINE, 3-ETHYNYL-5-METHOXY-Pyridine, 3-ethynyl-5-methoxy- (9CI)3-Methoxy-5-ethynylpyridine3-ethynyl-5-methoxy-pyridine5-ethynyl-3-methoxy-pyridine5-Ethynyl-3-methoxy pyridine

名称をさらに表示

SCHEMBL1476845SCHEMBL31134968YZVXHJYUMFFDQQ-UHFFFAOYSA-NLCB76850MFCD11109682AKOS006306658AB63414AT22617

データベース識別子

CAS: 686768-50-3
PubChem CID: 21097349
DTXSID: DTXSID80610727
EC Number: 830-954-0

物性

構造計算による物性

XLogP: 1.1
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: 2
重原子数: 10
形式電荷: 0
複雑度: 147

物理化学的性質

貯蔵温度: 2 · 2-8°C, stored under nitrogen

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.