2-Chloro-3-pyridinecarboxaldehyde - CAS 36404-88-3
Catalog: |
BB022959 |
Product Name: |
2-Chloro-3-pyridinecarboxaldehyde |
CAS: |
36404-88-3 |
Synonyms: |
2-chloropyridine-3-carbaldehyde |
IUPAC Name: | 2-chloropyridine-3-carbaldehyde |
Description: | Azaindazole intermediate. |
Molecular Weight: | 141.56 |
Molecular Formula: | C6H4ClNO |
Canonical SMILES: | C1=CC(=C(N=C1)Cl)C=O |
InChI: | InChI=1S/C6H4ClNO/c7-6-5(4-9)2-1-3-8-6/h1-4H |
InChI Key: | KHPAGGHFIDLUMB-UHFFFAOYSA-N |
Boiling Point: | 100.3 °C |
Purity: | 97.0 % |
Density: | 1.332 g/cm3 |
MDL: | MFCD01315308 |
LogP: | 1.54750 |
GHS Hazard Statement: | H302 (95.35%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113214182-A | Benzisothiazole compound and preparation method thereof | 20210519 |
CN-112452338-A | Ozone catalytic oxidation catalyst for advanced treatment of badan pesticide wastewater and preparation method thereof | 20201224 |
CN-112174879-A | Method for preparing 2-chloronicotinaldehyde | 20201030 |
CN-111620868-A | Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde | 20200528 |
CN-111620868-B | Preparation method of 1H-pyrazolo [3,4-b ] pyridine-3-formaldehyde | 20200528 |
PMID | Publication Date | Title | Journal |
21715219 | 20110901 | 2-Chloro- and 2-bromo-3-pyridinecarboxaldehydes: structures, rotamers, fermi resonance and vibration modes | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21476569 | 20110511 | Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition | Journal of agricultural and food chemistry |
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: | 1.3 |
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