1-Chloro-2-iodobenzene - CAS 615-41-8
Catalog: |
BB031170 |
Product Name: |
1-Chloro-2-iodobenzene |
CAS: |
615-41-8 |
Synonyms: |
1-chloro-2-iodobenzene |
IUPAC Name: | 1-chloro-2-iodobenzene |
Description: | 1-Chloro-2-iodobenzene (CAS# 615-41-8) is a building block that has been used as a reactant for the synthesis of biaryl derivatives of seasamol used for their antioxidant activity against DPPH radical. |
Molecular Weight: | 238.45 |
Molecular Formula: | C6H4ClI |
Canonical SMILES: | C1=CC=C(C(=C1)Cl)I |
InChI: | InChI=1S/C6H4ClI/c7-5-3-1-2-4-6(5)8/h1-4H |
InChI Key: | MPEOPBCQHNWNFB-UHFFFAOYSA-N |
Boiling Point: | 234-235 ℃ |
Density: | 1.952 g/cm3 |
MDL: | MFCD00001033 |
LogP: | 2.94460 |
GHS Hazard Statement: | H315 (97.92%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
15673259 | 20050203 | General and efficient indole syntheses based on catalytic amination reactions | Organic letters |
Complexity: | 74.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.90463 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.90463 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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