(2-fluorophenyl)-morpholin-4-ylmethanone
(2-fluorophenyl)-morpholin-4-ylmethanone structure
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Common Name | (2-fluorophenyl)-morpholin-4-ylmethanone | ||
|---|---|---|---|---|
| CAS Number | 1978-64-9 | Molecular Weight | 209.21700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C11H12FNO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Summary: (2-fluorophenyl)-morpholin-4-ylmethanone, CAS号1978-64-9, molecular formula C11H12FNO2, molecular weight 209.21700, For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (2-fluorophenyl)-morpholin-4-ylmethanone |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C11H12FNO2 |
|---|---|
| Molecular Weight | 209.21700 |
| Exact Mass | 209.08500 |
| PSA | 29.54000 |
| LogP | 1.23600 |
| InChIKey | OIDNOKLCLGRXCW-UHFFFAOYSA-N |
| SMILES | O=C(c1ccccc1F)N1CCOCC1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: N-(2-Fluorobenzoyl)morpholine Synonyms:(2-Fluorophenyl)(morpholino)methanone Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:N-(2-Fluorobenzoyl)morpholine CAS number:1978-64-9 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C11H12FNO2 Molecular weight:209.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~89%
(2-fluorophenyl... CAS#:1978-64-9 |
| Literature: Lysen, Morten; Kelleher, Susan; Begtrup, Mikael; Kristensen, Jesper Langgaard Journal of Organic Chemistry, 2005 , vol. 70, # 13 p. 5342 - 5343 |
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~%
(2-fluorophenyl... CAS#:1978-64-9 |
| Literature: Burke, Michael J.; Trantow, Brian M. Tetrahedron Letters, 2008 , vol. 49, # 31 p. 4579 - 4581 |
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~%
(2-fluorophenyl... CAS#:1978-64-9 |
| Literature: Fukui et al. Nippon Kagaku Zasshi, 1958 , vol. 79, p. 1428,1430 Chem.Abstr., 1960 , p. 5518 |
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~%
(2-fluorophenyl... CAS#:1978-64-9 |
| Literature: Fukui et al. Nippon Kagaku Zasshi, 1958 , vol. 79, p. 1428,1430 Chem.Abstr., 1960 , p. 5518 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Fluorobenzoic acid,morpholide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of (2-fluorophenyl)-morpholin-4-ylmethanone? |
| A: Molecular weight of (2-fluorophenyl)-morpholin-4-ylmethanone is 209.21700. |
| Q: What is the LogP of (2-fluorophenyl)-morpholin-4-ylmethanone? |
| A: LogP of (2-fluorophenyl)-morpholin-4-ylmethanone is 1.23600. |
| Q: What is the CAS number of (2-fluorophenyl)-morpholin-4-ylmethanone? |
| A: CAS number of (2-fluorophenyl)-morpholin-4-ylmethanone is 1978-64-9. |
| Q: What is the SMILES notation of (2-fluorophenyl)-morpholin-4-ylmethanone? |
| A: SMILES notation of (2-fluorophenyl)-morpholin-4-ylmethanone is O=C(c1ccccc1F)N1CCOCC1. |
| Q: What are the upstream materials of (2-fluorophenyl)-morpholin-4-ylmethanone? |
| A: Related upstream materials(CAS) of (2-fluorophenyl)-morpholin-4-ylmethanone: 15159-40-7;346656-39-1;110-91-8;445-29-4;393-52-2. |
| Q: What is the molecular formula of (2-fluorophenyl)-morpholin-4-ylmethanone? |
| A: Molecular formula of (2-fluorophenyl)-morpholin-4-ylmethanone is C11H12FNO2. |
| Q: What is the InChIKey of (2-fluorophenyl)-morpholin-4-ylmethanone? |
| A: InChIKey of (2-fluorophenyl)-morpholin-4-ylmethanone is OIDNOKLCLGRXCW-UHFFFAOYSA-N. |
| Q: What is the English name of (2-fluorophenyl)-morpholin-4-ylmethanone? |
| A: The English name of (2-fluorophenyl)-morpholin-4-ylmethanone is (2-fluorophenyl)-morpholin-4-ylmethanone. |
| Q: What English synonyms does (2-fluorophenyl)-morpholin-4-ylmethanone have? |
| A: English synonyms of (2-fluorophenyl)-morpholin-4-ylmethanone: 2-Fluorobenzoic acid,morpholide. |
| Q: What is the polar surface area (PSA) of (2-fluorophenyl)-morpholin-4-ylmethanone? |
| A: Polar surface area (PSA) of (2-fluorophenyl)-morpholin-4-ylmethanone is 29.54000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |