4-Chloro-1-iodo-2-nitrobenzene - CAS 5446-05-9
Catalog: |
BB028678 |
Product Name: |
4-Chloro-1-iodo-2-nitrobenzene |
CAS: |
5446-05-9 |
Synonyms: |
4-chloro-1-iodo-2-nitrobenzene; 4-chloro-1-iodo-2-nitrobenzene |
IUPAC Name: | 4-chloro-1-iodo-2-nitrobenzene |
Description: | 4-Chloro-1-iodo-2-nitrobenzene (CAS# 5446-05-9) is a useful research chemical. |
Molecular Weight: | 283.45 |
Molecular Formula: | C6H3ClINO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)[N+](=O)[O-])I |
InChI: | InChI=1S/C6H3ClINO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H |
InChI Key: | ZLQFWQOAQQBLLZ-UHFFFAOYSA-N |
Boiling Point: | 297.7 ℃ at 760 mmHg |
Density: | 2.094 g/cm3 |
LogP: | 3.37600 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20200089172-A | Compound for organic electronic element, organic electronic element using the same, and an electronic device thereof | 20190116 |
CN-110551131-A | Organic electroluminescent device and condensed cyclic compound for organic electroluminescent device | 20180601 |
EP-3575302-A1 | Organic electroluminescence device and condensed cyclic compound for organic electroluminescence device | 20180601 |
JP-2019210286-A | Organic electroluminescent device and condensed ring compound for organic electroluminescent device | 20180601 |
US-2019372019-A1 | Organic electroluminescence device and condensed cyclic compound for organic electroluminescence device | 20180601 |
PMID | Publication Date | Title | Journal |
21582195 | 20090218 | 4-Chloro-1-iodo-2-nitro-benzene | Acta crystallographica. Section E, Structure reports online |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.88970 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.88970 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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