1,4-Bis(3,7-dimethyloctyl)-2,5-diiodobenzene - CAS 211809-84-6
Catalog: |
BB016668 |
Product Name: |
1,4-Bis(3,7-dimethyloctyl)-2,5-diiodobenzene |
CAS: |
211809-84-6 |
Synonyms: |
1,4-bis(3,7-dimethyloctyl)-2,5-diiodobenzene |
IUPAC Name: | 1,4-bis(3,7-dimethyloctyl)-2,5-diiodobenzene |
Description: | 1,4-Bis(3,7-dimethyloctyl)-2,5-diiodobenzene (CAS# 211809-84-6 ) is a useful research chemical. |
Molecular Weight: | 610.44 |
Molecular Formula: | C26H44I2 |
Canonical SMILES: | CC(C)CCCC(C)CCC1=CC(=C(C=C1I)CCC(C)CCCC(C)C)I |
InChI: | InChI=1S/C26H44I2/c1-19(2)9-7-11-21(5)13-15-23-17-26(28)24(18-25(23)27)16-14-22(6)12-8-10-20(3)4/h17-22H,7-16H2,1-6H3 |
InChI Key: | LJNUMLPEKWLXIO-UHFFFAOYSA-N |
Boiling Point: | 535 °C at 760 mmHg |
Density: | 1.313 g/cm3 |
MDL: | MFCD05865202 |
LogP: | 9.68580 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, and P501 |
Signal Word: | Danger |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 610.15325 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 610.15325 |
Rotatable Bond Count: | 14 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 12.3 |
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