tert-Butyl isocyanide - CAS 7188-38-7
Catalog: |
BB034491 |
Product Name: |
tert-Butyl isocyanide |
CAS: |
7188-38-7 |
Synonyms: |
2-isocyano-2-methylpropane |
IUPAC Name: | 2-isocyano-2-methylpropane |
Description: | tert-Butyl isocyanide (CAS# 7188-38-7) is an intermediate used to prepare coumarines, 4H-chromenes and isoxazolines. |
Molecular Weight: | 83.13 |
Molecular Formula: | C5H9N |
Canonical SMILES: | CC(C)(C)[N+]#[C-] |
InChI: | InChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3 |
InChI Key: | FAGLEPBREOXSAC-UHFFFAOYSA-N |
Boiling Point: | 91 ℃ (lit.) |
Purity: | 95 % |
Density: | 0.735 g/cm3 |
Appearance: | Clear colorless liquid |
Storage: | Flammables area |
MDL: | MFCD00000002 |
LogP: | 0.93490 |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P271, P280, P284, P303+P361+P353, P304+P340, P310, P320, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113372276-A | Indazole derivative and application thereof | 20210525 |
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PMID | Publication Date | Title | Journal |
22978377 | 20121019 | One-pot five-component synthesis of spirocyclopenta[b]chromene derivatives and their acid-catalyzed rearrangement | The Journal of organic chemistry |
22905784 | 20120907 | Palladium-assisted regioselective C-H cyanation of heteroarenes using isonitrile as cyanide source | Organic letters |
22877417 | 20120820 | Naphthalene and anthracene cobaltates(1-): useful storable sources of an atomic cobalt anion | Inorganic chemistry |
22588317 | 20120814 | Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair | Dalton transactions (Cambridge, England : 2003) |
22686280 | 20120702 | Effect of axial ligand on the electronic configuration, spin states, and reactivity of iron oxophlorin | Inorganic chemistry |
Complexity: | 77.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 83.073499291 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 83.073499291 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 4.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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