2-Iodobenzaldehyde - CAS 26260-02-6
Catalog: |
BB019220 |
Product Name: |
2-Iodobenzaldehyde |
CAS: |
26260-02-6 |
Synonyms: |
2-iodobenzaldehyde |
IUPAC Name: | 2-iodobenzaldehyde |
Description: | 2-Iodobenzaldehyde (CAS# 26260-02-6) is a very useful synthetic intermediate. It is halogenated Benzaldehyde (B119740) which is mainly used as a precursor to other organic compounds, such as pharmaceuticals, and plastic additives. |
Molecular Weight: | 232.02 |
Molecular Formula: | C7H5IO |
Canonical SMILES: | C1=CC=C(C(=C1)C=O)I |
InChI: | InChI=1S/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5H |
InChI Key: | WWKKTHALZAYYAI-UHFFFAOYSA-N |
Boiling Point: | 129 °C (14 torr) |
Purity: | 97.0 % |
Density: | 1.883 g/cm3 |
MDL: | MFCD00039570 |
LogP: | 2.10370 |
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 |
CN-112209935-A | Preparation method of pyrazino-fused quinazolinone substance | 20201031 |
CN-112209935-B | Preparation method of pyrazino-fused quinazolinone substance | 20201031 |
CZ-34625-U1 | Purine nucleoside phosphorylase inhibitors for the treatment of T-cell acute lymphoblastic leukemia and lymphomas | 20201026 |
CN-112094208-A | Method for synthesizing o-sulfobenzaldehyde | 20200930 |
CN-111807942-A | Preparation method of polysubstituted indanone derivative | 20200805 |
PMID | Publication Date | Title | Journal |
22499237 | 20120521 | Cu(I)-catalyzed annulation for the synthesis of substituted naphthalenes using o-bromobenzaldehydes and β-ketoesters as substrates | Organic & biomolecular chemistry |
22402867 | 20120421 | A new cascade reaction: concurrent construction of six and five membered rings leading to novel fused quinazolinones | Organic & biomolecular chemistry |
21182260 | 20110204 | One-pot construction of aza- or oxa-bridged benzocycloheptanes from readily available 2,3-allenyl malonates or 2,3-allenols and o-iodobenzaldehyde or imine | Organic letters |
18665200 | 20080408 | Synthesis of dihydrophenanthridines by a sequence of Ugi-4CR and palladium-catalyzed intramolecular C-H functionalization | Beilstein journal of organic chemistry |
12711775 | 20030301 | A chain of edge-fused rings generated by the combination of an N-H...O hydrogen bond and an iodo-nitro interaction in 2-iodobenzaldehyde 4-nitrophenylhydrazone versus disordered and effectively isolated molecules in 2-iodobenzaldehyde 2,4-dinitrophenylhydrazone | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 103 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.93851 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.93851 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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