기본 정보
- 표준 SMILES
O=CN1CCOCC1- InChIKey
LCEDQNDDFOCWGG-UHFFFAOYSA-N- 분자식
- C5H9NO2
- 평균 분자량
- 115.13 g/mol
- 단동위원소 질량
- 115.06332853
개요
structure in first source
이름 및 식별자
- 우선 이름
- N-Formylmorpholine
- IUPAC
- morpholine-4-carbaldehyde
- 현지명
- 4-포르밀모폴린
- 영어명
- 4-Formylmorpholine
- 분자식
- C5H9NO2
- 분자량
- 115.13
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
4394-85-8- PubChem CID
- 20417
- DTXSID
DTXSID7044427- UNII
- D1E63XO4RH
- EC Number
- 224-518-3
- Nikkaji
- J149.689A
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 29.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 78.5
실험 및 물리화학적 성질
Physical Description
Liquid; CBI
Clear colorless liquid; mp = 20-23 deg C; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 20 · 20-23 °C (lit.)
- 끓는 점
- 236 · 236-237 °C (lit.)
- 밀도
- 1.145 g/mL · 1.145 g/mL at 25 °C (lit.)
- 증기압
- 0.03 hPa · 0.03 hPa (20 °C)
- 굴절률
- 20 · n20/D 1.485(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 쉽게 용해됨
- 산도 계수 (pKa)
- -0.75 · -0.75±0.20(Predicted)
- 물리적 상태
- 액체
- 색상
- 맑은 노란색
- 수소이온지수(pH)
- 10 · 10 (250g/l, H2O, 20℃)
- 폭발한계
- 1.2 · 1.2-8.2%(V)
- 수용성
- 녹는
- BRN
- 110293 · 110293
- 화장품 원료 기능
- 용제
- 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℃
- NIST
- N-Formylmorpholine(4394-85-8)
- EPA
- 4 · 4-Morpholinecarboxaldehyde (4394-85-8)
화학적 성질
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.
안전 및 규제
GHS 분류
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]
유해성 정보
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
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QD9694000
- 독성
- LD50 orally in Rabbit: > 7360 mg/kg LD50 dermal Rabbit > 18400 mg/kg
- HS 번호
- 29349990
- risk_code
- 36/37/38
- safety_code
- 23-24/25
- 기존화학 물질
- 97-3-115
- 자연 발화 온도
- 345 °C DIN 51794
- Hazard Classifications
- Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
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
응용 분야
개요4-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.
용도4-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.
일반 설명Treatment 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).
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…