4-tert-Butyliodobenzene - CAS 35779-04-5
Catalog: |
BB022756 |
Product Name: |
4-tert-Butyliodobenzene |
CAS: |
35779-04-5 |
Synonyms: |
1-tert-butyl-4-iodobenzene |
IUPAC Name: | 1-tert-butyl-4-iodobenzene |
Description: | 4-tert-Butyliodobenzene (CAS# 35779-04-5) is a useful research chemical. |
Molecular Weight: | 260.11 |
Molecular Formula: | C10H13I |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)I |
InChI: | InChI=1S/C10H13I/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3 |
InChI Key: | WQVIVQDHNKQWTM-UHFFFAOYSA-N |
Boiling Point: | 242.7 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.468 g/cm3 |
Appearance: | Yellow liquid. |
MDL: | MFCD00052339 |
LogP: | 3.58870 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214134-A | Synthesis method of quaternary carbon oxoindole skeleton | 20210430 |
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PMID | Publication Date | Title | Journal |
21293806 | 20110407 | An incommensurate thiourea inclusion compound | Chemical communications (Cambridge, England) |
18454143 | 20080601 | Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility | Nature chemical biology |
Complexity: | 115 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.00620 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.00620 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.1 |
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