Pyrrole-2-carboxaldehyde - CAS 1003-29-8
Catalog: |
BB000175 |
Product Name: |
Pyrrole-2-carboxaldehyde |
CAS: |
1003-29-8 |
Synonyms: |
1H-Pyrrole-2-carboxaldehyde; 2-Formyl-1H-pyrrole; 2-Formylpyrrole; 2-Pyrrolaldehyde; 2-Pyrrolecarbaldehyde; 2-Pyrrolecarboxaldehyde; 2-Pyrrolylcarboxaldehyde; NSC 112885; NSC 66394; Pyrrol-2-carbaldehyde; Pyrrole-2-aldehyde; Pyrrole-2-carboxyaldehyde; Pyrrole-2-formaldehyde |
Related CAS: | 129006-63-9 (Deleted CAS) 1610718-04-1 (Deleted CAS) |
IUPAC Name: | 1H-pyrrole-2-carbaldehyde |
Description: | Pyrrole-2-carboxaldehyde is a compound useful in organic synthesis. |
Molecular Weight: | 95.10 |
Molecular Formula: | C5H5NO |
Canonical SMILES: | C1=CNC(=C1)C=O |
InChI: | InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H |
InChI Key: | ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
Boiling Point: | 218°C |
Melting Point: | 46.5°C |
Purity: | 98% |
Density: | 1.197±0.06 g/cm3 |
Appearance: | Off-white to Light Brown Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00005217 |
LogP: | 0.82720 |
Vapor Pressure: | 0.32 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015175660-A1 | Mirna expression signature in the classification of thyroid tumors | 20140513 |
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PMID | Publication Date | Title | Journal |
22982389 | 20121201 | Metal based new triazoles: their synthesis, characterization and antibacterial/antifungal activities | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22786619 | 20120813 | Chemoselective N-acylation of indoles and oxazolidinones with carbonylazoles | Angewandte Chemie (International ed. in English) |
22453755 | 20120511 | A cascade reaction of pyrrole-2-carbaldehyde substituted Morita-Baylis-Hillman adducts in the presence of tetrabutylammonium hydroxide or acetate to construct aza-heterocycles | Chemical communications (Cambridge, England) |
22590104 | 20120501 | Bis{2-[(4-chloro-phen-yl)imino-meth-yl]pyrrol-1-ido-κ(2)N,N'}bis-(dimethyl-amido-κN)titanium(IV) toluene monosolvate | Acta crystallographica. Section E, Structure reports online |
22444679 | 20120415 | Radioiodinated sunitinib as a potential radiotracer for imaging angiogenesis-radiosynthesis and first radiopharmacological evaluation of 5-[125I]Iodo-sunitinib | Bioorganic & medicinal chemistry letters |
Complexity: | 72.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 95.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 95.037113783 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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