2-オキサゾリドン
2-Oxazolidinone
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基本情報
- CAS
497-25-6- 標準SMILES
O=C1NCCO1- InChIKey
IZXIZTKNFFYFOF-UHFFFAOYSA-N- 分子式
- C3H5NO2
- 平均分子量
- 87.08 g/mol
- 単同位体質量
- 87.0320284
概要
Oxazolidin-2-one is an oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2. It has a role as a metabolite. It is a carbamate ester and an oxazolidinone.
名称と識別子
- 優先名称
- 2-Oxazolidinone
- IUPAC
- 1,3-oxazolidin-2-one
- 現地名
- 2-オキサゾリドン
- 英語名
- 2-Oxazolidone
- 分子式
- C3H5NO2
- 分子量
- 87.08
名称と別名
2-OxazolidinoneOxazolidin-2-one2-Oxazolidone497-25-61,3-Oxazolidin-2-oneOxazolidoneCHEBI:1237Z4D49W92PPNSC-35382NSC-38240Carbamic acid, (2-hydroxyethyl)-, gamma-lactoneDTXSID2074326
名称をさらに表示
2-オキサゾリドン4,5-ジヒドロオキサゾール-2(3H)-オン2-オキサゾリジノン2-オキサゾリノンオキサゾリジン-2-オン2‐オキサゾリドン1,3-オキサゾリジン-2-オン2-オキサゾリジノン, 99%テトラヒドロオキサゾール-2-オンOxazolidineNSC 353822-Oxazolinone2-OXAZOLIDIONE2-OX2-Oxa
2 oxazolidinone2 OxazolidoneOxazolidin 2 one1,3 Oxazolidin 2 one1,3-oxazolidine-2-oneRefChem:1688681,3 Oxazolidine 2 oneDTXCID4040719
データベース識別子
- CAS
497-25-6、51667-26-6- PubChem CID
- 73949
- DTXSID
DTXSID2074326- ChEMBL
CHEMBL1867161- ChEBI
CHEBI:1237- UNII
- Z4D49W92PP
- EC Number
- 207-840-9
- Nikkaji
- J36.850D
物性
構造計算による物性補完中
- XLogP
- -0.3
- 極性表面積
- 38.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 71.2
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials PropertiesCrystal structure
Solubility>13.1 [ug/mL] (The mean of the results at pH 7.4)
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 83 · 83-87 °C(lit.)
- 沸点
- 220 °C48 · 220 °C48 mm Hg(lit.)
- 比重(密度)
- 1.2736 · 1.2736 (rough estimate)
- 屈折率
- 1.494 · 1.4940 (estimate)
- 闪点
- 220 °C/48mm · 220°C/48mm
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- クロロホルム（微量、加熱）、メタノール（微量）
- 酸解離定数(Pka)
- 12.78 · 12.78±0.20(Predicted)
- 外見
- 結晶または粉末
- 色
- オフホワイトからイエローベージュ
- 水溶解度
- 水に溶ける。
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 47.4% (36 of 76) of reports.
Warning
H302 (51.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Oxazolidinone
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazards SummaryA strong eye irritant; May cause skin sensitization; Harmful by ingestion; [Sigma-Aldrich MSDS] Search for (497-25-6[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]
Hazard Classes and CategoriesAcute Tox. 4 (51.3%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RQ2450000
- 毒性
- TDLo orl-mus: 1000 mg/kg:ETA BCPCA62,168,59
- hs_code
- 29322980
- risk_code
- 22-36-43-40-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37-37-36
- ストレージクラス
- 13 - Non Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Compounds which inhibit the synthesis of proteins. They are usually ANTI-BACTERIAL AGENTS or toxins. Mechanism of the action of inhibition includes the interruption of peptide-chain elongation, the blocking the A site of ribosomes, the misreading of the genetic code or the prevention of the attachment of oligosaccharide side chains to glycoproteins.
用途と製造
UsesDerivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents. [ChemIDplus]
General Manufacturing Information2-Oxazolidinone: ACTIVE
応用分野
用途有機合成原料。
使用As an oxazole derivative used as an antibiotic, 2-Oxazolidone is also used in the preparation of compounds with antitumor activity and as a metabolite of Furazolidone (F864100).
調製方法
純化方法Crystallise it from *benzene, dichloroethane, CHCl3 or EtOH. It is a cyclic urethane, and as such it is not very stable. [Katritzky et al. J Chem Soc Perkin II 145 1990, Beilstein 27 H 135, 27 II 259, 27 III/IV 2516.]
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