3-Iodobenzaldehyde - CAS 696-41-3
Catalog: |
BB033907 |
Product Name: |
3-Iodobenzaldehyde |
CAS: |
696-41-3 |
Synonyms: |
3-iodobenzaldehyde |
IUPAC Name: | 3-iodobenzaldehyde |
Description: | 3-Iodobenzaldehyde (CAS# 696-41-3) is a useful research chemical. |
Molecular Weight: | 232.02 |
Molecular Formula: | C7H5IO |
Canonical SMILES: | C1=CC(=CC(=C1)I)C=O |
InChI: | InChI=1S/C7H5IO/c8-7-3-1-2-6(4-7)5-9/h1-5H |
InChI Key: | RZODAQZAFOBFLS-UHFFFAOYSA-N |
Boiling Point: | 124-125 °C / 13 mmHg |
Density: | 1.883 g/cm3 |
MDL: | MFCD00039573 |
LogP: | 2.10370 |
GHS Hazard Statement: | H315 (97.83%): 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-112266327-A | Method for synthesizing beta-hydroxycarbonyl compound by catalyzing asymmetric Aldol reaction in aqueous phase | 20201116 |
WO-2021157551-A1 | Composition for lithography and pattern-forming method | 20200206 |
WO-2021143924-A1 | Boric acid derivative | 20200119 |
CN-112824438-A | Novel synthesis method of polyimide | 20191120 |
WO-2021087093-A1 | Small molecule degraders of helios and methods of use | 20191030 |
PMID | Publication Date | Title | Journal |
17413228 | 20070401 | Isomeric Schiff bases related by dual imino-group reversals | Acta crystallographica. Section C, Crystal structure communications |
14712036 | 20040101 | Hydrogen-bonded chains of rings in 3-iodobenzaldehyde 2,4-dinitrophenylhydrazone and 4-iodobenzaldehyde 2,4-dinitrophenylhydrazone, and a three-dimensional framework in 4-iodobenzaldehyde 4-nitrophenylhydrazone generated by the combination of N-H...O and C-H...O hydrogen bonds with iodo-nitro interactions | 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: | 2.2 |
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