2-Iodo-1,3-dimethylbenzene - CAS 608-28-6
Catalog: |
BB030825 |
Product Name: |
2-Iodo-1,3-dimethylbenzene |
CAS: |
608-28-6 |
Synonyms: |
2-iodo-1,3-dimethylbenzene |
IUPAC Name: | 2-iodo-1,3-dimethylbenzene |
Description: | 2-Iodo-1,3-dimethylbenzene (CAS# 608-28-6) is used in the preparation of p-(arylethynyl)arylpropanoic acid derivatives as free fatty acid receptor 1 agonists with low lipophilicity and high oral bioavailability. |
Molecular Weight: | 232.06 |
Molecular Formula: | C8H9I |
Canonical SMILES: | CC1=C(C(=CC=C1)C)I |
InChI: | InChI=1S/C8H9I/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3 |
InChI Key: | QTUGGVBKWIYQSS-UHFFFAOYSA-N |
Boiling Point: | 223-224 °C |
Density: | 1.608 g/cm3 |
Appearance: | Clear green-brown to brown liquid |
MDL: | MFCD00019012 |
LogP: | 2.90800 |
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, P310, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111606820-A | Preparation method of N-iodobenzene-N-phenylamide compound | 20200601 |
CN-111499566-A | Pyridine derivative compound and preparation method thereof | 20200430 |
WO-2021120835-A1 | Nitrogen-containing compound, organic electroluminescent device, and electronic apparatus | 20191220 |
WO-2021063346-A1 | Kras g12c inhibitor and application thereof | 20190930 |
WO-2021016388-A1 | Inhibitors of cyclin-dependent kinase 7 and uses thereof | 20190723 |
PMID | Publication Date | Title | Journal |
17441162 | 20070205 | Diels-Alder reactions of novel (1'-arylallylidene)cyclopropanes with heterodienophiles | Chemistry, an Asian journal |
Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.97490 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.97490 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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