2-Ethylbutyryl chloride - CAS 2736-40-5
Catalog: |
BB019547 |
Product Name: |
2-Ethylbutyryl chloride |
CAS: |
2736-40-5 |
Synonyms: |
2-ethylbutanoyl chloride |
IUPAC Name: | 2-ethylbutanoyl chloride |
Description: | 2-Ethylbutyryl chloride (CAS# 2736-40-5) is used as a reactant in the CuBr2-mediated remote C-H bond chalcogenation of quinolines on the C5 position by disulfides/diselenides. |
Molecular Weight: | 134.60 |
Molecular Formula: | C6H11ClO |
Canonical SMILES: | CCC(CC)C(=O)Cl |
InChI: | InChI=1S/C6H11ClO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3 |
InChI Key: | SMUKODJVMQOSAB-UHFFFAOYSA-N |
Boiling Point: | 138 °C |
Density: | 0.982 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00018812 |
LogP: | 2.18800 |
GHS Hazard Statement: | H226 (93.48%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021172488-A1 | Cyclic amine derivative and pharmaceutical use thereof | 20200228 |
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Complexity: | 76.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.0498427 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.0498427 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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