5-メチルオキサゾリジン-2-オン

5-Methyl-2-oxazolidinone

HCID 136837

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1072-70-4
標準SMILES: CC1CNC(=O)O1
InChIKey: HBRXQSHUXIJOKV-UHFFFAOYSA-N
分子式: C4H7NO2
平均分子量: 101.1 g/mol
単同位体質量: 101.04767847

名称と識別子

優先名称: 5-Methyl-2-oxazolidinone
IUPAC: 5-methyl-1,3-oxazolidin-2-one
現地名: 5-メチルオキサゾリジン-2-オン
英語名: 5-Methyloxazolidin-2-one
分子式: C4H7NO2
分子量: 101.1

名称と別名

1072-70-45-methyloxazolidin-2-one5-METHYL-2-OXAZOLIDINONEDTXSID401030688RefChem:537022DTXCID101515770810-292-95-methyl-1,3-oxazolidin-2-one2-Oxazolidinone, 5-methyl-MFCD000688715-methyl-oxazolidin-2-one2-Oxazolidinone,5-methyl-

名称をさらに表示

5-メチルオキサゾリジン-2-オン

NSC377502-Oxazolanone, 5-methyl-SCHEMBL995353SCHEMBL1063160SCHEMBL1063161SCHEMBL2836622SCHEMBL19520938HBRXQSHUXIJOKV-UHFFFAOYSA-N

データベース識別子

CAS: 1072-70-4
PubChem CID: 136837
DTXSID: DTXSID401030688
EC Number: 810-292-9
Nikkaji: J357.490C

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

物理化学的性質

融点: 20 · 20-22 °C
沸点: 136 · 136-137 °C(Press: 5 Torr)
比重(密度): 1.168 g/cm3 · 1.168 g/cm3(Temp: 25 °C)
蒸気圧: 2.2 · 2.2-7.2Pa at 20-50℃
酸解離定数(Pka): 12.82 · 12.82±0.40(Predicted)
LogP: -0.73 · -0.73-0.3 at 23℃ and pH6.4-7.9

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.