Nicotinoyl chloride hydrochloride - CAS 20260-53-1
Catalog: |
BB015739 |
Product Name: |
Nicotinoyl chloride hydrochloride |
CAS: |
20260-53-1 |
Synonyms: |
3-Pyridinecarbonyl chloride, hydrochloride (1:1); 3-Pyridinecarbonyl chloride, monohydrochloride; Nicotinoyl chloride, monohydrochloride; Nicotinic acid chloride hydrochloride |
Related CAS: | 10400-19-8 (free base)
|
IUPAC Name: | pyridine-3-carbonyl chloride;hydrochloride |
Molecular Weight: | 178.02 |
Molecular Formula: | C6H4ClNO.HCl |
Canonical SMILES: | C1=CC(=CN=C1)C(=O)Cl.Cl |
InChI: | InChI=1S/C6H4ClNO.ClH/c7-6(9)5-2-1-3-8-4-5;/h1-4H;1H |
InChI Key: | MSYBLBLAMDYKKZ-UHFFFAOYSA-N |
Melting Point: | 164-165°C |
Purity: | ≥95% |
Appearance: | White to yellow to orange crystalline solid |
MDL: | MFCD00012820 |
LogP: | 2.26260 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113087713-A | Benzodiazepine derivatives, and preparation method and use thereof | 20210329 |
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PMID | Publication Date | Title | Journal |
12092148 | 20010101 | Original method for nicorandil synthesis | Revista medico-chirurgicala a Societatii de Medici si Naturalisti din Iasi |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.9748192 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.9748192 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Related Functional Groups
Pyridines
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