2-Benzofurancarboxaldehyde - CAS 4265-16-1
Catalog: |
BB025192 |
Product Name: |
2-Benzofurancarboxaldehyde |
CAS: |
4265-16-1 |
Synonyms: |
1-benzofuran-2-carbaldehyde |
IUPAC Name: | 1-benzofuran-2-carbaldehyde |
Description: | 2-Benzofurancarboxaldehyde (CAS# 4265-16-1) is a naturally occurring compound from Globba pendula. 2-Benzofurancarboxaldehyde has been used for the synthesis of isoxazolines. |
Molecular Weight: | 146.14 |
Molecular Formula: | C9H6O2 |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(O2)C=O |
InChI: | InChI=1S/C9H6O2/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-6H |
InChI Key: | ADDZHRRCUWNSCS-UHFFFAOYSA-N |
Boiling Point: | 135 °C (18 mmHg) |
Melting Point: | 195.00 to 198.00 °C at 760.00 mm Hg |
Density: | 1.206 g/cm3 |
Solubility: | 1520 mg/L at 25 °C (est) |
Appearance: | Dark yellow liquid |
MDL: | MFCD00015463 |
LogP: | 2.24530 |
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 |
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PMID | Publication Date | Title | Journal |
22412613 | 20120301 | (Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylonitrile | Acta crystallographica. Section E, Structure reports online |
22238529 | 20110101 | A novel and facile synthesis of 3-(2-benzofuroyl)- and 3,6-bis(2-benzofuroyl)carbazole derivatives | Beilstein journal of organic chemistry |
19795856 | 20091106 | P(PhCH2NCH2CH2)3N catalysis of Mukaiyama aldol reactions of aliphatic, aromatic, and heterocyclic aldehydes and trifluoromethyl phenyl ketone | The Journal of organic chemistry |
21378917 | 20090901 | Metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones | Nature chemistry |
19768978 | 20090801 | Naturally occurring labdane diterpene and benzofuran from Globba pendula | Natural product communications |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.036779430 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.036779430 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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