N-ホルミルモルホリン

N-Formylmorpholine

HCID 20417CAS 4394-85-8

基本情報

標準SMILES
O=CN1CCOCC1
InChIKey
LCEDQNDDFOCWGG-UHFFFAOYSA-N
分子式
C5H9NO2
平均分子量
115.13 g/mol
単同位体質量
115.06332853

概要

structure in first source

名称と識別子

優先名称
N-Formylmorpholine
IUPAC
morpholine-4-carbaldehyde
現地名
N-ホルミルモルホリン
英語名
4-Formylmorpholine
分子式
C5H9NO2
分子量
115.13

名称と別名

4-Formylmorpholine4394-85-84-MorpholinecarboxaldehydeN-FORMYLMORPHOLINEMorpholine, 4-formyl-DTXSID7044427D1E63XO4RHNSC-14833DTXCID5024427RefChem:99981224-518-3morpholine-4-carbaldehyde
名称をさらに表示
N-ホルミルモルホリン4-モルホリンカルバルデヒド4-ホルミルモルホリンモルホリン-4-カルボアルデヒド4-モルホリンカルボアルデヒドホルミルモルホリンN‐ホルミルモルホリンモルホリン-4-カルバルデヒドFormmorpholimeN-FormylmorpholN-Formyl MorpholinTIMTEC-BB SBB0076704-Formylmorpholine>
N-FormylmorfolinMFCD000061704-MorpholinecarbaldehydeN-formyl morpholineN-Formylmorfolin [Czech]formyl morpholineUNII-D1E63XO4RHN-formyhnorpholine

データベース識別子

CAS
4394-85-8
PubChem CID
20417
DTXSID
DTXSID7044427
UNII
D1E63XO4RH
EC Number
224-518-3
Nikkaji
J149.689A

物性

構造計算による物性

XLogP
-0.6
極性表面積
29.5 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
8

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Morpholines
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.32 [mmHg]
Physical Description · 2 件

Liquid; CBI

Clear colorless liquid; mp = 20-23 deg C; [Sigma-Aldrich MSDS]

物理化学的性質

融点
20 · 20-23 °C (lit.)
沸点
236 · 236-237 °C (lit.)
比重(密度)
1.145 g/mL · 1.145 g/mL at 25 °C (lit.)
蒸気圧
0.03 hPa · 0.03 hPa (20 °C)
屈折率
20 · n20/D 1.485(lit.)
闪点
230 °F · >230 °F
化学的性質 · 1 件

化学的特性CLEAR YELLOW LIQUIDN-formylmorpholine is a colourless transparent liquid soluble in water. It is chemically stable, non-toxic, and non-corrosive but can also dissolve aliphatic hydrocarbons, aromatic hydrocarbons, and water because of its unique structure. N-formylmorpholine would largely reduce the volatility of aromatic hydrocarbon when dissolving the latter. Thus, it can extract, distill and recycle aromatic hydrocarbon. Besides, this compound is also applied in C4 (LNG) cracking projects for desulfuration and solvent extraction, which can increase the yield (relative to DMF, ACN, and NMP processes). At present, this application has been adopted in China. It should be stored in sealed containers in a cool, ventilated warehouse. Keep away from fire and heat. Avoid the use of mechanical equipment that would produce sparks. Handle gently, avoiding damage to the packaging and containers.

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H317 (74.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 259 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

危険有害性情報

Regulatory Information · 5 件

Chemical: 4-Morpholinecarboxaldehyde

4-Morpholinecarboxaldehyde is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Morpholinecarboxaldehyde 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 29-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11158

4-Morpholinecarboxaldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

A mild skin and eye irritant; Oral LD50 (rat) = 6.5 mL/kg; [RTECS] May cause skin sensitization; [ECHA REACH Registrations] Search for (4394-85-8[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] An eye and mild skin irritant; [Sigma-Aldrich MSDS]

Hazard Classes and Categories · 2 件

Skin Sens. 1 (74.1%)

Skin sensitization - Category 1B

安全データ

wgk
3
tsca
TSCA listed
rtecs
QD9694000
毒性
LD50 orally in Rabbit: > 7360 mg/kg LD50 dermal Rabbit > 18400 mg/kg
hs_code
29349990
risk_code
36/37/38

化学と産業

用途と製造

Uses · 2 件

Used as an intermediate, laboratory reagent, in gas treatment, cleaning agents, and professional and consumer coatings; [ECHA REACH Registrations]

Painting (Pigments, Binders, and Biocides) [Category: Paint]

U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesViscosity modifiers
Industry UsesIntermediate
General Manufacturing Information · 2 件

Computer and Electronic Product Manufacturing

4-Morpholinecarboxaldehyde: ACTIVE

応用分野 · 4 件

用途有機合成原料。

説明4-Formylmorpholine is an excellent non-protonic solvent. It is widely used as a solvent and extractant for aromatics. It is used as a detergent for acid gases. In the field of organic synthesis, it can be used to prepare labelled 14C, 4-(trifluoromethyl)morpholine, 3-alkyl-2-chloro-5,6-dihydrobenzaldehyde, triple-biphenyldialdehyde and phenylpropargyl aldehyde. It plays an important role in the desulphurisation of natural gas, syngas, flue gas and petrol.

使用4-Formylmorpholine is widely used as a solvent and extracting agent for aromatics. It is used as a scrubbing agent for acidic gases. It is employed in the preparation of adenine hydrochloride labeled with 14C, 4-(trifluoromethyl)morpholine, 3-alkyl-2-chloro-5,6-dihydrobenzaldehyde and terphenyl dialdehyde. It plays an important role in the desulfurization of natural gas, synthetic gas, flue gas and gasoline.

一般的な説明Treatment of 4-formylmorpholine with sulphur tetrafluoride in the presence of potassium fluoride gives 4-(trifluoromethyl)morpholine in excellent yields. 4-Formylmorpholine reacts with series of 2-alkyl-2-cyclohexen-1-ones in the presence of POCl3 to give the corresponding 3-alkyl-2-chloro-5,6-dihydrobenzaldehydes and allylic alcohols (by-product).

サプライヤー50 社

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

補足説明

定義本品は、次の化学式で表される有機化合物である。

関連反応

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