4-Iodophenetole - CAS 699-08-1
Catalog: |
BB034014 |
Product Name: |
4-Iodophenetole |
CAS: |
699-08-1 |
Synonyms: |
Benzene, 1-ethoxy-4-iodo-; Phenetole, p-iodo-; 4-(Ethyloxy)iodobenzene; 4-Ethoxy-1-iodobenzene; 4-Ethoxyphenyl iodide; 4-Iodo-1-ethoxybenzene; 4-Iodoethoxybenzene; NSC 3781; p-Ethoxyiodobenzene; p-Iodophenetole |
IUPAC Name: | 1-ethoxy-4-iodobenzene |
Molecular Weight: | 248.06 |
Molecular Formula: | C8H9IO |
Canonical SMILES: | CCOC1=CC=C(C=C1)I |
InChI: | InChI=1S/C8H9IO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3 |
InChI Key: | VSIIHWOJPSSIDI-UHFFFAOYSA-N |
Boiling Point: | 250°C |
Melting Point: | 29°C |
Purity: | ≥95% |
Density: | 1.631±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White or Colorless to Yellow to Orange Powder to Lump to Clear Liquid |
Storage: | Store at RT |
MDL: | MFCD00061124 |
LogP: | 2.68990 |
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-113292509-A | Aromatic thioether compound and preparation method and application thereof | 20210611 |
CN-112409224-A | Synthetic method of sulfonamide compound | 20201120 |
CN-113050374-A | Photoresist composition and method for manufacturing semiconductor device | 20200330 |
US-2021311388-A1 | Photoresist composition and method of manufacturing semiconductor device | 20200330 |
KR-20210112903-A | Polyarylene sulfide resin composition and preparation method thereof | 20200306 |
PMID | Publication Date | Title | Journal |
20369873 | 20100429 | Mechanism of orientational isomerism of unsymmetrical guests in a heterodimeric capsule: analysis by ab initio molecular orbital calculations | The journal of physical chemistry. B |
18454143 | 20080601 | Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility | Nature chemical biology |
17397223 | 20070427 | Orientational isomerism controlled by the difference in electronic environments of a self-assembling heterodimeric capsule | The Journal of organic chemistry |
Complexity: | 87.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.96981 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.96981 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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