1-Bromoundecane - CAS 693-67-4
Catalog: |
BB033791 |
Product Name: |
1-Bromoundecane |
CAS: |
693-67-4 |
Synonyms: |
1-bromoundecane |
IUPAC Name: | 1-bromoundecane |
Description: | 1-Bromoundecane (CAS# 693-67-4) is a reagent used in the preparation of Grignard reagent by reacting with Mg in tetrahydrofuran. |
Molecular Weight: | 235.20 |
Molecular Formula: | C11H23Br |
Canonical SMILES: | CCCCCCCCCCCBr |
InChI: | InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3 |
InChI Key: | IKPSIIAXIDAQLG-UHFFFAOYSA-N |
Boiling Point: | 259.2 °C at 760 mmHg |
Melting Point: | -9 °C (lit.) |
Purity: | 95 % |
Density: | 1.054 g/cm3 |
Appearance: | Colourless liquid |
MDL: | MFCD00000223 |
LogP: | 4.91210 |
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 |
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PMID | Publication Date | Title | Journal |
21582253 | 20090225 | n-Undeca-nyl 2-(4-chloro-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-ene-carbo-dithio-ate | Acta crystallographica. Section E, Structure reports online |
21582254 | 20090225 | n-Undeca-nyl 2-(4-bromo-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-ene-carbodithio-ate | Acta crystallographica. Section E, Structure reports online |
21582255 | 20090225 | n-Undeca-nyl 2-(2,4-dichloro-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-ene-carbo-dithio-ate | Acta crystallographica. Section E, Structure reports online |
21202630 | 20080521 | 1,2-Bis(undecyl-sulfan-yl)benzene | Acta crystallographica. Section E, Structure reports online |
11722204 | 20011130 | Synthesis of gem-dideuterated tetradecanoic acids and their use in investigating the enzymatic transformation of (Z)-11-tetradecenoic acid into (E,E)-10,12-tetradecadienoic acid | The Journal of organic chemistry |
Complexity: | 71.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.09831 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.09831 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.5 |
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