Pinacol - CAS 76-09-5
Catalog: |
BB035495 |
Product Name: |
Pinacol |
CAS: |
76-09-5 |
Synonyms: |
2,3-dimethylbutane-2,3-diol |
IUPAC Name: | 2,3-dimethylbutane-2,3-diol |
Description: | Pinacol (CAS# 76-09-5) is a useful research chemical compound. |
Molecular Weight: | 118.17 |
Molecular Formula: | C6H14O2 |
Canonical SMILES: | CC(C)(C(C)(C)O)O |
InChI: | InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3 |
InChI Key: | IVDFJHOHABJVEH-UHFFFAOYSA-N |
Boiling Point: | 174 °C |
Melting Point: | 40-43°C |
Flash Point: | 171 °F |
Density: | 0.963 g/cm 3 |
Solubility: | water, 3.506e+004 mg/L @ 25 °C (est) |
Appearance: | White solid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00004462 |
LogP: | 0.52820 |
Refractive Index: | 1.4426 (16°C) |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases, strong acids. |
Vapor Pressure: | 0.5 [mmHg] |
GHS Hazard Statement: | H228 (73.44%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113480527-A | Compound containing triazine and carbazole structures and organic electroluminescent device | 20210908 |
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CN-113429393-A | Anthracene-indole derivative, material for organic electroluminescent element, light-emitting element, and consumer product | 20210826 |
CN-113461775-A | Preparation method of polypeptide compound | 20210823 |
PMID | Publication Date | Title | Journal |
23038414 | 20121105 | Frustrated Lewis pair inspired carbon dioxide reduction by a ruthenium tris(aminophosphine) complex | Angewandte Chemie (International ed. in English) |
23072464 | 20121102 | Pinacolborane as the boron source in nitrogen-directed borylations of aromatic N,N-dimethylhydrazones | The Journal of organic chemistry |
23030065 | 20121024 | Taking the F out of FLP: simple Lewis acid-base pairs for mild reductions with neutral boranes via borenium ion catalysis | Journal of the American Chemical Society |
22913738 | 20120905 | Ruthenium catalyzed hydroboration of terminal alkynes to Z-vinylboronates | Journal of the American Chemical Society |
22607205 | 20120809 | Synthesis and antimitotic and tubulin interaction profiles of novel pinacol derivatives of podophyllotoxins | Journal of medicinal chemistry |
Complexity: | 72.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 118.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 118.099379685 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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