CAS 930-21-2 2-Azetidinone (HCID 136721)

基本情報

CAS: 930-21-2
標準SMILES: O=C1CCN1
InChIKey: MNFORVFSTILPAW-UHFFFAOYSA-N
分子式: C3H5NO
平均分子量: 71.08 g/mol
単同位体質量: 71.03711378

概要

Beta-lactam is a lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon.

名称と識別子

優先名称: 2-Azetidinone
IUPAC: azetidin-2-one
現地名: 2-アゼチジノン
英語名: 2-Azetidinone
分子式: C3H5NO
分子量: 71.08

名称と別名

azetidin-2-one2-Azetidinone930-21-2beta-PropiolactamAzetidinonePropiolactamCHEBI:327119DTXSID30239225RefChem:85518DTXCID50161716628-180-1beta-Lactam

名称をさらに表示

アゼチジン-2-オンβ-プロピオラクタム2-アゼチジノン2-AzetidoneAZETAN-2-ONE2-Azetidinone 98%Azetidin-2-one 98%2-AZACYCLOBUTANONE

MFCD00013328CHEMBL344042CHEBI:35627beta-Lactams2-Azetdinoneazetidine-2-one2-Azetidinone, 98%Epitope ID:117418

データベース識別子

CAS: 930-21-2
PubChem CID: 136721
DTXSID: DTXSID30239225
ChEMBL: CHEMBL344042
ChEBI: CHEBI:35627
EC Number: 628-180-1
Nikkaji: J80.017A

物性

構造計算による物性

XLogP: -0.8
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 5
形式電荷: 0
複雑度: 59.9

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

SpringerMaterials PropertiesCoriolis coupling

Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 74 · 74-76 °C (lit.)
沸点: 106 °C/15 · 106 °C/15 mmHg (lit.)
比重(密度): 1.0347 · 1.0347 (rough estimate)
屈折率: 1.4035 · 1.4035 (estimate)
貯蔵温度: 2 · 2-8°C
溶解性: クロロホルム: 非常に溶けやすい (lit.)
外見: 液体
酸解離定数(Pka): 15.86 · 15.86±0.20(Predicted)
色: クリア
BRN: 104563 · 104563
InChI: InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)
InChIKey: MNFORVFSTILPAW-UHFFFAOYSA-N
SMILES: N1CCC1=O

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 3
tsca: No
ridadr: UN 3263 8/PG 2
hs_code: 2933998090
risk_code: 34
hazard_code: C
hazard_note: Corrosive/Keep Cold
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

応用分野 · 2 件

使用2-Azetidinone was used in synthesis of optically pure densely functionalized γ-lactams.

一般的な説明2-Azetidinone is an unsubstituted four membered lactam. 2-Azetidinone is the fundamental building block of β-lactam antibiotics. X-ray photoelectron spectra of 2-azetidinone was investigated. 2-Azetidinone undergoes hydrolysis with aqueous alkali to yield β-alanine.