4-Iodo-3-nitroanisole - CAS 58755-70-7
Catalog: |
BB030155 |
Product Name: |
4-Iodo-3-nitroanisole |
CAS: |
58755-70-7 |
Synonyms: |
1-iodo-4-methoxy-2-nitrobenzene; 1-iodo-4-methoxy-2-nitrobenzene |
IUPAC Name: | 1-iodo-4-methoxy-2-nitrobenzene |
Description: | 4-Iodo-3-nitroanisole (CAS# 58755-70-7) is a useful research chemical. |
Molecular Weight: | 279.03 |
Molecular Formula: | C7H6INO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)I)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6INO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
InChI Key: | JWZODIRSJJQOKY-UHFFFAOYSA-N |
Boiling Point: | 330.8 °C at 760 mmHg |
Density: | 1.893 g/cm3 |
MDL: | MFCD00024195 |
LogP: | 2.73120 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021228562-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127190-A1 | Irak degraders and uses thereof | 20191217 |
WO-2021127283-A2 | Irak degraders and uses thereof | 20191217 |
WO-2021011722-A1 | Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto | 20190717 |
US-2020119289-A1 | Organic electroluminescent materials and devices | 20181015 |
PMID | Publication Date | Title | Journal |
22412637 | 20120301 | 1-Iodo-4-meth-oxy-2-nitro-benzene | Acta crystallographica. Section E, Structure reports online |
19219982 | 20090311 | One- and two-electron reactivity of a tantalum(V) complex with a redox-active tris(amido) ligand | Journal of the American Chemical Society |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.93924 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.93924 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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