2-Iodo-4-nitrophenol - CAS 89487-91-2
Catalog: |
BB039502 |
Product Name: |
2-Iodo-4-nitrophenol |
CAS: |
89487-91-2 |
Synonyms: |
2-iodo-4-nitrophenol |
IUPAC Name: | 2-iodo-4-nitrophenol |
Description: | 2-Iodo-4-nitrophenol (CAS# 89487-91-2) is used as a reactant in the preparation of iodophenols. |
Molecular Weight: | 265.01 |
Molecular Formula: | C6H4INO3 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])I)O |
InChI: | InChI=1S/C6H4INO3/c7-5-3-4(8(10)11)1-2-6(5)9/h1-3,9H |
InChI Key: | BKQFOYCEUMVWOW-UHFFFAOYSA-N |
Boiling Point: | 294.5 °C at 760 mmHg |
Density: | 2.176 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD01165664 |
LogP: | 2.42820 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18616343 | 20080821 | New MCR-Heck-isomerization cascade toward indoles | Organic letters |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 264.92359 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 264.92359 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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