5-ブロモ-1-(シクロプロピルメチル)ピリジン-2(1H)-オン

5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one

HCID 59635701CAS 1114573-41-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=c1ccc(Br)cn1CC1CC1
InChIKey: LYJAMRBVRNCRMA-UHFFFAOYSA-N
分子式: C9H10BrNO
平均分子量: 228.09 g/mol
単同位体質量: 226.99458

名称と識別子

優先名称: 5-Bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one
IUPAC: 5-bromo-1-(cyclopropylmethyl)pyridin-2-one
現地名: 5-ブロモ-1-(シクロプロピルメチル)ピリジン-2(1H)-オン
英語名: 5-Bromo-1-(cyclopropylmethyl)pyridin-2(1H)-one
分子式: C9H10BrNO
分子量: 228.09

名称と別名

5-bromo-1-(cyclopropylmethyl)-1,2-dihydropyridin-2-one1114573-41-9RefChem:532745987-524-15-bromo-1-(cyclopropylmethyl)pyridin-2(1H)-oneMFCD217466835-bromo-1-(cyclopropylmethyl)pyridin-2-oneSCHEMBL120724LYJAMRBVRNCRMA-UHFFFAOYSA-NPUB57341AKOS015654224AT13850

名称をさらに表示

5-ブロモ-1-(シクロプロピルメチル)ピリジン-2(1H)-オン5-Bromo-1-(cyclopropylmethyl)-2(1H)-pyridinone2(1H)-Pyridinone, 5-bromo-1-(cyclopropylmethyl)-

KS-9188SY155389DB-123838CS-01553895-bromo-1-cyclopropylmethyl-1H-pyridin-2-one5-bromo-1-cyclopropylmethyl-1H-pyridin -2-oneEN300-138713F476211

データベース識別子

CAS: 1114573-41-9
PubChem CID: 59635701
EC Number: 987-524-1

物性

構造計算による物性

XLogP: 1.5
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 266

物理化学的性質

沸点: 319.1 · 319.1±35.0 °C(Predicted)
比重(密度): 1.631 · 1.631±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): -0.62 · -0.62±0.70(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 1 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.