5-Bromo-2-pyridinecarboxaldehyde - CAS 31181-90-5
Catalog: |
BB020827 |
Product Name: |
5-Bromo-2-pyridinecarboxaldehyde |
CAS: |
31181-90-5 |
Synonyms: |
5-bromopyridine-2-carbaldehyde |
IUPAC Name: | 5-bromopyridine-2-carbaldehyde |
Description: | 5-Bromo-2-pyridinecarboxaldehyde (CAS# 31181-90-5) is a useful research chemical, an organic synthesis intermediate. |
Molecular Weight: | 186.01 |
Molecular Formula: | C6H4BrNO |
Canonical SMILES: | C1=CC(=NC=C1Br)C=O |
InChI: | InChI=1S/C6H4BrNO/c7-5-1-2-6(4-9)8-3-5/h1-4H |
InChI Key: | ZQVLPMNLLKGGIU-UHFFFAOYSA-N |
Boiling Point: | 237.707 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.683 g/cm3 |
MDL: | MFCD04112535 |
LogP: | 1.65660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22109274 | 20111113 | Dynamic multi-component covalent assembly for the reversible binding of secondary alcohols and chirality sensing | Nature chemistry |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.94763 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.94763 |
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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