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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 78.5
実験および物理化学的性質
Physical Description
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
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 溶ける
- 酸解離定数(Pka)
- -0.75 · -0.75±0.20(Predicted)
- 外見
- 液体
- 色
- クリアイエロー
- PH
- 10 · 10 (250g/l, H2O, 20℃)
- 爆発限界(explosive limit)
- 1.2 · 1.2-8.2%(V)
- 水溶解度
- 溶ける
- BRN
- 110293 · 110293
- 化粧品成分の機能
- 溶媒
- InChI
- 1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2
- InChIKey
- LCEDQNDDFOCWGG-UHFFFAOYSA-N
- SMILES
- [H]C(=O)N1CCOCC1
- LogP
- -1.2 at · -1.2 at 23℃
- CAS データベース
- 4394 · 4394-85-8(CAS DataBase Reference)
- NISTの化学物質情報
- N-Formylmorpholine(4394-85-8)
- EPAの化学物質情報
- 4 · 4-Morpholinecarboxaldehyde (4394-85-8)
化学的性質
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
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
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
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
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
- 化審法
- (5)-6646
- safety_code
- 23-24/25
- 自然発火温度
- 345 °C DIN 51794
- Hazard Classifications
- Skin Sens. 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
Uses
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]
General Manufacturing Information
Computer and Electronic Product Manufacturing
4-Morpholinecarboxaldehyde: ACTIVE
応用分野
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).
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
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
関連ノート
読み込み中…