2-Chloropyridine-3-carbonyl chloride - CAS 49609-84-9
Catalog: |
BB026750 |
Product Name: |
2-Chloropyridine-3-carbonyl chloride |
CAS: |
49609-84-9 |
Synonyms: |
2-chloropyridine-3-carbonyl chloride |
IUPAC Name: | 2-chloropyridine-3-carbonyl chloride |
Description: | An intermediate of synergistic pesticide Boscalid. Also, used in the preparation of thieno[2.3-b]pyrrole derivatives as cannabinoid receptor agonists useful in mono- and combination therapy of diseases. |
Molecular Weight: | 176.00 |
Molecular Formula: | C6H3Cl2NO |
Canonical SMILES: | C1=CC(=C(N=C1)Cl)C(=O)Cl |
InChI: | InChI=1S/C6H3Cl2NO/c7-5-4(6(8)10)2-1-3-9-5/h1-3H |
InChI Key: | RXTRRIFWCJEMEL-UHFFFAOYSA-N |
Boiling Point: | 256.1 ℃ at 760 mmHg |
Melting Point: | 38-39 ℃ |
Purity: | 95 % |
Density: | 1.454 g/cm3 |
Appearance: | Off-white to brown solid |
MDL: | MFCD00051677 |
LogP: | 2.11400 |
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 |
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PMID | Publication Date | Title | Journal |
21581971 | 20090123 | 2-Chloro-pyridine-3-carboxamide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.9591691 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.9591691 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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