3-(ジクロロアセチル)-2,2,5-トリメチルオキサゾリジン

2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine

HCID 62019CAS 52836-31-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1CN(C(=O)C(Cl)Cl)C(C)(C)O1
InChIKey: YNQSILKYZQZHFJ-UHFFFAOYSA-N
分子式: C8H13Cl2NO2
平均分子量: 226.1 g/mol
単同位体質量: 225.032334

名称と識別子

優先名称: 2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine
IUPAC: 2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone
現地名: 3-(ジクロロアセチル)-2,2,5-トリメチルオキサゾリジン
英語名: 3-(Dichloroacetyl)-2,2,5-trimethyloxazolidine
分子式: C8H13Cl2NO2
分子量: 226.1

名称と別名

52836-31-42,2,5-Trimethyl-3-dichloroacetyl-1,3-oxazolidineJLY7K2SJEK2,2,5-Trimethyl-3-(dichloroacetyl)-1,3-oxazolidine3-(dichloroacetyl)-2,2,5-trimethyl-1,3-oxazolidineOXAZOLIDINE, 3-(DICHLOROACETYL)-2,2,5-TRIMETHYL-DTXSID50280312,2,5-trimethyl-3-(dichloroacetyl)oxazolidineRefChem:494821DTXCID108031258-214-73-(Dichloroacetyl)-2,2,5-trimethyloxazolidine

名称をさらに表示

3-(ジクロロアセチル)-2,2,5-トリメチルオキサゾリジン2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)ethanoneEthanone,2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)-

2,2-Dichloro-1-(2,2,5-trimethyloxazolidin-3-yl)ethanone2,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethanone2,2,5-trimethyl-3-dichloroacetyl oxazolidineR 291482,2-dichloro-1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)ethan-1-one2,2-dichloro-1-(2,2,5-trimethyloxazolidin-3-yl)ethan-1-oneR-29148Ethanone, 2,2-dichloro-1-(2,2,5-trimethyl-3-oxazolidinyl)-

データベース識別子

CAS: 52836-31-4
PubChem CID: 62019
DTXSID: DTXSID5028031
ChEMBL: CHEMBL2269057
ChEBI: CHEBI:147358
UNII: JLY7K2SJEK
EC Number: 258-214-7
Nikkaji: J10.893F

物性

構造計算による物性

XLogP: 1.8
極性表面積: 29.5 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: 13
形式電荷: 0
複雑度: 218

物理化学的性質

融点: 85 · 85 - 88°C
貯蔵温度: Refrigerator, under inert atmosphere
溶解性: クロロホルム（微量）、メタノール（微量）
外見: 個体
色: ホワイトからオフホワイト
EPAの化学物質情報: 2 · 2,2,5-Trimethyl-3-dichloroacetyl-1,3-oxazolidine (52836-31-4)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.