4-メチル-1,3-オキサゾリジン-2-オン

4-Methyl-1,3-oxazolidin-2-one

HCID 9855455CAS 16112-59-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1COC(=O)N1
InChIKey: VAJFEOKPKHIPEN-UHFFFAOYSA-N
分子式: C4H7NO2
平均分子量: 101.1 g/mol

名称と識別子

優先名称: 4-Methyl-1,3-oxazolidin-2-one
IUPAC: 4-methyl-1,3-oxazolidin-2-one
現地名: 4-メチル-1,3-オキサゾリジン-2-オン
英語名: 2-Oxazolidinone, 4-methyl-
分子式: C4H7NO2
分子量: 101.1

名称と別名

4-methyl-1,3-oxazolidin-2-oneRefChem:524890982-260-34-methyloxazolidin-2-one16112-59-74-methyl-2-oxazolidinone2-Oxazolidinone, 4-methyl-MFCD205024094-Methyloxazolidine-2-one4-methyl-oxazolidin-2-oneSCHEMBL1289843SCHEMBL1289846

名称をさらに表示

4-メチル-1,3-オキサゾリジン-2-オン

SCHEMBL1935560SCHEMBL2746024SCHEMBL17966458VAJFEOKPKHIPEN-UHFFFAOYSA-NAKOS014922134SB21959BS-21622SY037847

データベース識別子

CAS: 16112-59-7
PubChem CID: 9855455
EC Number: 982-260-3
Nikkaji: J1.306.255B

物性

構造計算による物性

XLogP: 0.2
極性表面積: 38.3 Å²
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: 7
形式電荷: 0
複雑度: 91.7

物理化学的性質

融点: 56 · 56-57 °C
沸点: 109 · 109-111 °C(Press: 2 Torr)
比重(密度): 1.095 · 1.095±0.06 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 12.84 · 12.84±0.40(Predicted)
外見: solid
InChI: 1S/C4H7NO2/c1-3-2-7-4(6)5-3/h3H,2H2,1H3,(H,5,6)
InChIKey: VAJFEOKPKHIPEN-UHFFFAOYSA-N
SMILES: CC1COC(=O)N1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: WGK 3
hs_code: 2934999090
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用4-Methyl-2-oxazolidinone is derived from DL-Alaninol (A628760), which is a chemical reagent used in organic synthesis. Used in the preparation of polyunsaturated fatty acid amides showing anti-proliferative properties.