2,4,5-Trichloroiodobenzene - CAS 7145-82-6
Catalog: |
BB034381 |
Product Name: |
2,4,5-Trichloroiodobenzene |
CAS: |
7145-82-6 |
Synonyms: |
1,2,4-trichloro-5-iodobenzene |
IUPAC Name: | 1,2,4-trichloro-5-iodobenzene |
Description: | 2,4,5-Trichloroiodobenzene (CAS# 7145-82-6) is used as a reagent in the synthesis of sterically hindered polychlorinated biphenyls (PCBs) via Suzuki and Ullmannn reactions. |
Molecular Weight: | 307.34 |
Molecular Formula: | C6H2Cl3I |
Canonical SMILES: | C1=C(C(=CC(=C1Cl)I)Cl)Cl |
InChI: | InChI=1S/C6H2Cl3I/c7-3-1-5(9)6(10)2-4(3)8/h1-2H |
InChI Key: | KKXMBRLCXIPURK-UHFFFAOYSA-N |
Boiling Point: | 293 °C (110 torr) |
Density: | 2.085 g/cm3 |
MDL: | MFCD00051450 |
LogP: | 4.25140 |
GHS Hazard Statement: | H315 (100%): 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 |
WO-2017040766-A1 | Anti-viral tetrahydrofurane derivatives | 20150902 |
CA-2982040-A1 | Inhibitors and their uses | 20150408 |
EP-3280405-A1 | Inhibitors and their uses | 20150408 |
JP-2018517668-A | Inhibitors and uses thereof | 20150408 |
KR-20180018491-A | Inhibitors and uses thereof | 20150408 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.82668 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.82668 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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