1-Iodohexane - CAS 638-45-9
Catalog: |
BB032302 |
Product Name: |
1-Iodohexane |
CAS: |
638-45-9 |
Synonyms: |
1-iodohexane |
IUPAC Name: | 1-iodohexane |
Description: | 1-Iodohexane (CAS# 638-45-9) is a compound useful in organic synthesis. |
Molecular Weight: | 212.07 |
Molecular Formula: | C6H13I |
Canonical SMILES: | CCCCCCI |
InChI: | InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3 |
InChI Key: | ANOOTOPTCJRUPK-UHFFFAOYSA-N |
Boiling Point: | 181 °C |
Density: | 1.437 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD00001102 |
LogP: | 3.00170 |
GHS Hazard Statement: | H302 (86.96%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
30169019 | 20181015 | Genetic Variants of Glutathione S-Transferase GSTT1 and GSTT2 in Cynomolgus Macaques: Identification of GSTT Substrates and Functionally Relevant Alleles | Chemical research in toxicology |
22511073 | 20120521 | Functionalization of graphene by electrophilic alkylation of reduced graphite | Chemical communications (Cambridge, England) |
22313188 | 20120308 | Effect of crown ethers on the ground and excited state reactivity of samarium diiodide in acetonitrile | The journal of physical chemistry. A |
21990342 | 20120101 | The in vitro estrogenic activities of polyfluorinated iodine alkanes | Environmental health perspectives |
21933409 | 20110920 | Synthesis and structural studies of a new class of quaternary ammonium salts, which are derivatives of cage adamanzane type aminal 1, 3, 6, 8-tetraazatricyclo[4.3.1.13,8]undecane (TATU) | Chemistry Central journal |
Complexity: | 27.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.00620 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.00620 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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