チエノ[2,3-B]ピリジン

Thieno(2,3-b)pyridine

HCID 289928CAS 272-23-1

部分構造検索類似構造を探す

基本情報

標準SMILES: c1cnc2sccc2c1
InChIKey: SMZMHUCIDGHERP-UHFFFAOYSA-N
分子式: C7H5NS
平均分子量: 135.19 g/mol
単同位体質量: 135.01427034

名称と識別子

優先名称: Thieno(2,3-b)pyridine
IUPAC: thieno[2,3-b]pyridine
現地名: チエノ[2,3-B]ピリジン
英語名: Thieno[2,3-b]pyridine (8CI,9CI)
分子式: C7H5NS
分子量: 135.19

名称と別名

Thieno[2,3-b]pyridine272-23-16XG2YBX9JJNSC-152397DTXSID80302650thieno(2,3-b)pyridineRefChem:189373DTXCID30253784802-218-9Thieno[2,3-b]pyridine (8CI,9CI)MFCD01631145NSC152397

名称をさらに表示

チエノ[2,3-B]ピリジンNSC 152397

SCHEMBL10299SCHEMBL71510SCHEMBL135191SCHEMBL334791SCHEMBL334812SCHEMBL335077SCHEMBL30337062SMZMHUCIDGHERP-UHFFFAOYSA-N

データベース識別子

CAS: 272-23-1
PubChem CID: 289928
DTXSID: DTXSID80302650
UNII: 6XG2YBX9JJ
EC Number: 802-218-9
Nikkaji: J1.373.584K

物性

構造計算による物性

XLogP: 2.2
極性表面積: 41.1 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: 0
重原子数: 9
形式電荷: 0
複雑度: 105

物理化学的性質

沸点: 236.5 · 236.5±13.0 °C(Predicted)
比重(密度): 1.272 · 1.272±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
酸解離定数(Pka): 4.54 · 4.54±0.30(Predicted)

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)

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.