4-Iodo-2-nitroaniline - CAS 20691-72-9
Catalog: |
BB016155 |
Product Name: |
4-Iodo-2-nitroaniline |
CAS: |
20691-72-9 |
Synonyms: |
4-iodo-2-nitroaniline |
IUPAC Name: | 4-iodo-2-nitroaniline |
Description: | 4-Iodo-2-nitroaniline (CAS# 20691-72-9) is a useful research chemical. |
Molecular Weight: | 264.02 |
Molecular Formula: | C6H5IN2O2 |
Canonical SMILES: | C1=CC(=C(C=C1I)[N+](=O)[O-])N |
InChI: | InChI=1S/C6H5IN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2 |
InChI Key: | QVCRSYXVWPPBFJ-UHFFFAOYSA-N |
Boiling Point: | 352.9 ℃ at 760 mmHg |
Melting Point: | 120-123 ℃ |
Purity: | 98 % |
Density: | 2.101 g/cm3 |
Appearance: | Yellow to orange to brown powder or crystals |
MDL: | MFCD06808526 |
LogP: | 2.88600 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109369345-A | A kind of preparation method of the bromo- 5- iodophenol of 2- | 20181127 |
TW-201930298-A | Bibenzimidazole compound and method of use thereof | 20171117 |
US-2019152924-A1 | Bis-benzimidazole compounds and methods of using the same | 20171117 |
WO-2019099777-A2 | Bis-benzimidazole compounds and methods of using same | 20171117 |
EP-3710442-A2 | Bis-benzimidazole compounds and methods of using the same | 20171117 |
PMID | Publication Date | Title | Journal |
12149561 | 20020801 | Interplay of hydrogen bonds, iodo...nitro interactions and aromatic pi...pi stacking interactions in iodo-nitroanilines | Acta crystallographica. Section B, Structural science |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 263.93957 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 263.93957 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Amines and Anilines
Nitrogen Compounds
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