4-포르밀모폴린
N-Formylmorpholine
기본 정보
- CAS
4394-85-8- 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
4-Formylmorpholine4394-85-84-MorpholinecarboxaldehydeN-FORMYLMORPHOLINEMorpholine, 4-formyl-DTXSID7044427D1E63XO4RHNSC-14833DTXCID5024427RefChem:99981224-518-3morpholine-4-carbaldehyde
이름 더 보기
4-포르밀모폴린N-포르밀모르폴린FormmorpholimeN-FormylmorpholN-Formyl MorpholinTIMTEC-BB SBB0076704-Formylmorpholine>
N-FormylmorfolinMFCD000061704-MorpholinecarbaldehydeN-formyl morpholineN-Formylmorfolin [Czech]formyl morpholineUNII-D1E63XO4RHN-formyhnorpholine
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
Chemical ClassesNitrogen Compounds -> Morpholines
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.32 [mmHg]
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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.
REACH registered substance: 4-morpholinecarbaldehyde (EC: 224-518-3)
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
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]
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesViscosity modifiers
Industry UsesIntermediate
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
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