4-Formylmorpholine - CAS 4394-85-8
Catalog: |
BB025501 |
Product Name: |
4-Formylmorpholine |
CAS: |
4394-85-8 |
Synonyms: |
morpholine-4-carbaldehyde |
IUPAC Name: | morpholine-4-carbaldehyde |
Description: | 4-Formylmorpholine (CAS# 4394-85-8) is an heterocyclic building block used in the synthesis of various chemicals. It is also used in novel route to dihydrobenzaldehydes, and the formation of allyl alcohols as by-products. |
Molecular Weight: | 115.13 |
Molecular Formula: | C5H9NO2 |
Canonical SMILES: | C1COCCN1C=O |
InChI: | InChI=1S/C5H9NO2/c7-5-6-1-3-8-4-2-6/h5H,1-4H2 |
InChI Key: | LCEDQNDDFOCWGG-UHFFFAOYSA-N |
Boiling Point: | 240 °C |
Melting Point: | 23°C |
Flash Point: | 113°C |
Purity: | > 99 % |
Density: | 1.142 g/cm3 |
Appearance: | Clear yellow liquid |
Storage: | Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006170 |
LogP: | 0.04880 |
Refractive Index: | 1.4855-1.4875 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.32 [mmHg] |
GHS Hazard Statement: | H317 (66.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P333+P313, P337+P313, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016316717-A1 | Phenoxymethyl derivatives | 20150904 |
CA-2992889-A1 | Phenoxymethyl derivatives | 20150904 |
US-10835524-B2 | Compositions for the treatment of pancreatic cancer and uses thereof | 20150624 |
US-2016257689-A1 | Salts and processes of preparing a pi3k inhibitor | 20150227 |
US-9221729-B1 | Extractive distillation for aromatics recovery | 20150223 |
PMID | Publication Date | Title | Journal |
29635166 | 20180510 | Targeting the entrance channel of NNIBP: Discovery of diarylnicotinamide 1,4-disubstituted 1,2,3-triazoles as novel HIV-1 NNRTIs with high potency against wild-type and E138K mutant virus | European journal of medicinal chemistry |
22312278 | 20120101 | Use of Linear Free Energy Relationships (LFERs) to elucidate the mechanisms of reaction of a γ-methyl-β-alkynyl and an ortho-substituted aryl chloroformate ester | International journal of molecular sciences |
22400063 | 20120101 | Protease-activated drug development | Theranostics |
21601511 | 20110901 | A combined experimental and theoretical quantum chemical studies on 4-morpholinecarboxaldehyde | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21215643 | 20110115 | Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists | Bioorganic & medicinal chemistry |
Complexity: | 78.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 115.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 115.063328530 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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