N-甲基吗啉氧化物 (HCID 82029)

概述

N-methylmorpholine N-oxide is a morpholine N-oxide resulting from the oxidation of the amino group of N-methylmorpholine.

名称与标识

首选名称: Methyl morpholine oxide
IUPAC: 4-methyl-4-oxidomorpholin-4-ium
中文名: N-甲基吗啉氧化物
英文名: 4-Methylmorpholine N-oxide
分子式: C5H11NO2
分子量: 117.15

名称与别名

7529-22-84-Methylmorpholine 4-oxideN-Methylmorpholine oxideN-Methylmorpholine N-oxideMorpholine, 4-methyl-, 4-oxideMethyl morpholine oxide4-Methylmorpholine-4-oxide4-Methylmorpholine Oxide4-methylmorpholine-N-oxideN-Methylmorpholine 4-oxideNSC 73198NSC 82153

展开更多名称

NMO 溶液氧化甲基吗琳甲基吗啉氧化物吗多明杂质12氮甲基吗啉氧化物N-甲基吗啉氧化物N-甲吗啉啉氧化物4-甲基吗啉四氧化物N-甲基吗啉氮氧化物N-甲基吗啡啉氧化物NMO4-methyl-morpholin4-oxideMMNO4-methyl-4-oxidomorpholin-4-ium4-methylmorpholine n-oxide solution4-MethylMorpholin-4-iuM-4-olate

DTXSID3029287EINECS 231-391-8NSC-73198NSC-821534-methylmorpholine 4-oxide, monohydrateDTXCID509287CHEBI:52093EC 231-391-8

数据库标识

CAS: 7529-22-8
PubChem CID: 82029
DTXSID: DTXSID3029287
ChEMBL: CHEMBL3184330
ChEBI: CHEBI:52093
UNII: ARC64PKJ0F
EC Number: 231-391-8
Nikkaji: J256.599D

性质

结构计算性质

XLogP: -0.7
极性表面积: 27.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 78.5

实验与物化性质

Chemical ClassesNitrogen Compounds -> Amine Oxides

CosmeticsCleansing; Foam boosting; Surfactant

Physical Description · 2 条

Liquid

White hygroscopic solid; [Merck Index] Light yellow crystalline solid; [Sigma-Aldrich MSDS]

物理化学性质

熔点: 180 · 180-184 °C(lit.)
沸点: 118 · 118-119°C
密度: 1 · 1,14 g/cm3
蒸气压: 1.41 hPa · 1.41hPa at 20℃
折射率: 20 · n20/D 1.43
闪点: 118 · 118-119°C
储存条件: 2 · 2-8°C
溶解度: DMSO (Soluble), Methanol (Slightly)
酸度系数(pKa): 4.93 · 4.93±0.20(Predicted)
形态: Liquid
颜色: Clear colorless to yellow
PH值: 9 · 9.00 ( in neat)
水溶解性: Soluble in water, methanol, ethanol, acetone, ethers and dimethylsulfoxide.
BRN: 507437 · 507437
稳定性: Hygroscopic
化妆品成分功效: SURFACTANT - FOAM BOOSTINGSURFACTANT - CLEANSINGCLEANSING
InChI: 1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3
InChIKey: LFTLOKWAGJYHHR-UHFFFAOYSA-N
SMILES: C[N+]1([O-])CCOCC1
LogP: -1.2 at · -1.2 at 25℃
CAS 数据库: 7529 · 7529-22-8(CAS DataBase Reference)
NIST化学物质信息: N-Methylmorpholine-N-oxide(7529-22-8)
EPA化学物质信息: 4 · Morpholine, 4-methyl-, 4-oxide (7529-22-8)

化学性质

N-甲基吗啉氧化物(简称NMMO)溶剂是一种对纤维素有极强溶解性能的特殊的优良溶剂，它常温下呈结晶固体或液体，无毒，弱碱性，吸湿性强，每分子可结合多个水分子，120℃时易产生变色反应，175℃时产生过热反应并易气化分解，为高级叔胺类氧化物。

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 0.5% (1 of 202) of reports.

Danger

H228 (66.8%): Flammable solid [Danger Flammable solids]

P203, P210, P220, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 202 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 4 条

Chemical: Morpholine, 4-methyl-, 4-oxide

Morpholine, 4-methyl-, 4-oxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Morpholine, 4-methyl-, 4-oxide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15946

Morpholine, 4-methyl-, 4-oxide: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 条

An irritant; [Merck Index] An oxidizer that may intensify fire; [ECHA REACH Registrations] A skin and strong eye irritant; May cause allergic reactions in sensitive individuals, based on QSAR modeling; [Sigma-Aldrich MSDS] Search for (7529-22-8[EC/RN Number]) AND (allergic OR sensitizer OR sensitization OR dermatitis): no results; [PubMed]

Hazard Classes and CategoriesFlam. Sol. 1 (66.8%)

安全数据

wgk: 1
tsca: TSCA listed
存储类别: 4.1B - Flammable solid hazardous materials
安全说明: 26-36/37
海关编码: 29349990
危险品标志: Xi
危险性类别: Flam. Sol. 1Repr. 2
危险类别码: 36/37/38

化学与工业

用途与制造

Uses · 2 条

Used as a reagent in synthetic organic chemistry and commercially for swelling and dissolution of cellulose; [Merck Index] Used as an intermediate, to make flexible and rigid polyurethane foams, as a solvent in synthetic fiber production, and in industrial and professional coatings, adhesives, and sealants; [ECHA REACH Registrations]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

U.S. Production2023: 500,000 - <1,000,000 lb

Industry UsesOther

Use ClassificationCosmetics -> Cleansing; Foam boosting; Surfactant

General Manufacturing Information · 2 条

Organic Fiber Manufacturing

Morpholine, 4-methyl-, 4-oxide: ACTIVE

应用领域

用途N-甲基吗啉N-氧化物，常用缩写NMO，是吗啉（M723725）的代谢产物。 N-甲基吗啉N-氧化物通常用于溶解纤维素以及溶解硬蛋白。

用途NMO为非金属催化剂，用于酮的氰基硅烷化。共氧化剂，用于离子液体中温和地非对称双羟基化反应。

制备方法

合成方法向25 ml圆底烧瓶中加入1.09 ml（10 mmol）NMM于10 ml水中的溶液。使CO2气体在1大气压下通过溶液10分钟。搅拌反应混合物。再通二氧化碳30分钟。反应完成后，通过旋转蒸发除去水，得到氧化胺粗产物。通过柱色谱纯化粗产物（硅胶，100-200目；MeOH/CH2Cl2=10:90）得到标题化合物N-甲基吗啉氧化物。

上下游产品信息

上游原料

N-甲基吗啉过氧化氢水甲醇苯甲腈

下游产品

4-甲基-2-氧代-2H-色满-7-甲醛 BOC-4-氧代-L-脯氨酸甲酯氧化-4-甲基吗啉一水合物 4-溴-2-硝基苯胺 N,N'-亚甲基双吗啉 N-BOC-4-氧代-L-脯氨酸叔丁酯 5Β-二氢孕酮

试剂价格

M2192 · 5g: 4-甲基吗啉 N-氧化物4-Methylmorpholine N-Oxide — 475元
M2192 · 25g: 4-甲基吗啉 N-氧化物4-Methylmorpholine N-Oxide — 1290元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南氟泽新材料有限公司00-15169181 15169181281 · [email protected]

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N-甲基吗啉氧化物

基本信息

概述