1-(Azetidin-1-yl)-2-chloroethan-1-one

HCID 2543159

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 63177-41-3
標準SMILES: O=C(CCl)N1CCC1
InChIKey: DLDWKQVABUJWBD-UHFFFAOYSA-N
分子式: C5H8ClNO
平均分子量: 133.57 g/mol
単同位体質量: 133.0294416

名称と識別子

優先名称: 1-(Azetidin-1-yl)-2-chloroethan-1-one
IUPAC: 1-(azetidin-1-yl)-2-chloroethanone
英語名: Azetidine, 1-(chloroacetyl)- (9CI)
分子式: C5H8ClNO
分子量: 133.58

名称と別名

1-(azetidin-1-yl)-2-chloroethan-1-oneRefChem:427019819-142-763177-41-31-Azetidin-1-yl-2-chloro-ethanone1-(azetidin-1-yl)-2-chloroethanoneMFCD06361966Azetidine, 1-(chloroacetyl)- (9CI)1-(1-Azetidinyl)-2-chloro-ethanone1-(chloroacetyl)azetidine-2-chloroethanoneEthanone, 1-(1-azetidinyl)-2-chloro-

名称をさらに表示

1-Azetidin-1-Yl-2-Chloro-Ethanone(WX630209)1-(Azetidin-1-yl)-2-chloroethan-1-one - [A93680]

1-(Azetidin-1-yl)SCHEMBL2240231-(alpha-Chloroacetyl) azetidineDTXSID20368912DLDWKQVABUJWBD-UHFFFAOYSA-N1-azetidin-1-yl-2-chloroethanoneNCA177411-(azetidin-1-yl)-2-chloro-ethanone

データベース識別子

CAS: 63177-41-3
PubChem CID: 2543159
DTXSID: DTXSID20368912
EC Number: 819-142-7

物性

構造計算による物性

XLogP: 0.5
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: 1
重原子数: 8
形式電荷: 0
複雑度: 101

物理化学的性質

沸点: 242.2 · 242.2±23.0 °C(Predicted)
比重(密度): 1.276 · 1.276±0.06 g/cm3(Predicted)
貯蔵温度: -20 °C · Inert atmosphere,Store in freezer, under -20°C
酸解離定数(Pka): -0.95 · -0.95±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, 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.