5-Chloropyridine-2-carboxaldehyde - CAS 31181-89-2
Catalog: |
BB020826 |
Product Name: |
5-Chloropyridine-2-carboxaldehyde |
CAS: |
31181-89-2 |
Synonyms: |
5-chloro-2-pyridinecarboxaldehyde; 5-chloropyridine-2-carbaldehyde |
IUPAC Name: | 5-chloropyridine-2-carbaldehyde |
Description: | 5-Chloropyridine-2-carboxaldehyde (CAS# 31181-89-2) is a useful research chemical. |
Molecular Weight: | 141.56 |
Molecular Formula: | C6H4ClNO |
Canonical SMILES: | C1=CC(=NC=C1Cl)C=O |
InChI: | InChI=1S/C6H4ClNO/c7-5-1-2-6(4-9)8-3-5/h1-4H |
InChI Key: | YYLBDBOSXXSZQQ-UHFFFAOYSA-N |
Boiling Point: | 208 °C |
Purity: | 96 % |
Density: | 1.332 g/cm3 |
LogP: | 1.54750 |
GHS Hazard Statement: | H317 (95.24%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111718327-A | Azacyclopyrimidine hydrazone Zn (II) complex containing multiple coordination sites as well as preparation method and application thereof | 20200723 |
WO-2021198283-A1 | Inhibitors of antigen presentation by hla-dr | 20200331 |
WO-2021057816-A1 | Nucleic acid aptamer molecule | 20190923 |
CN-110423234-B | Thiosemicarbazone derivative containing indole fragment and preparation method and application thereof | 20190815 |
WO-2021012018-A1 | Inhibitor compounds | 20190724 |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.9981414 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.9981414 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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