5-Bromo-3-pyridinecarboxaldehyde - CAS 113118-81-3
Catalog: |
BB003106 |
Product Name: |
5-Bromo-3-pyridinecarboxaldehyde |
CAS: |
113118-81-3 |
Synonyms: |
5-bromopyridine-3-carbaldehyde |
IUPAC Name: | 5-bromopyridine-3-carbaldehyde |
Description: | 5-Bromo-3-pyridinecarboxaldehyde (CAS# 113118-81-3) is a useful research chemical, an intermediate for the preparation of heterocyclic flavonoids with a hedgehog signal inhibitory activities. |
Molecular Weight: | 186.01 |
Molecular Formula: | C6H4BrNO |
Canonical SMILES: | C1=C(C=NC=C1Br)C=O |
InChI: | InChI=1S/C6H4BrNO/c7-6-1-5(4-9)2-8-3-6/h1-4H |
InChI Key: | NGUVGKAEOFPLDT-UHFFFAOYSA-N |
Boiling Point: | 251.1 ℃ at 760 mmHg |
Melting Point: | 98-102 ℃ |
Purity: | 98 % |
Density: | 1.683 g/cm3 |
Appearance: | Solid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD03265758 |
LogP: | 1.65660 |
GHS Hazard Statement: | H302 (97.67%): 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 |
WO-2021127643-A1 | Fluoroalkyl-oxadiazoles and uses thereof | 20191220 |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
CN-110845474-A | Target I-type PRMT compound and preparation method and application thereof | 20191107 |
CN-110845474-B | Target I-type PRMT compound and preparation method and application thereof | 20191107 |
WO-2021088885-A1 | Compound targeting type i prmt, preparation method therefor, and application thereof | 20191107 |
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 |
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Related Functional Groups
Carbonyl Compounds
Pyridines
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