4-(4-Formylphenyl)pyridine - CAS 99163-12-9
Catalog: |
BB042265 |
Product Name: |
4-(4-Formylphenyl)pyridine |
CAS: |
99163-12-9 |
Synonyms: |
4-pyridin-4-ylbenzaldehyde |
IUPAC Name: | 4-pyridin-4-ylbenzaldehyde |
Description: | 4-(4-Formylphenyl)pyridine (CAS# 99163-12-9) is a useful research chemical. |
Molecular Weight: | 183.21 |
Molecular Formula: | C12H9NO |
Canonical SMILES: | C1=CC(=CC=C1C=O)C2=CC=NC=C2 |
InChI: | InChI=1S/C12H9NO/c14-9-10-1-3-11(4-2-10)12-5-7-13-8-6-12/h1-9H |
InChI Key: | MBJXDIYHLGBQOT-UHFFFAOYSA-N |
Boiling Point: | 336.7 °C at 760 mmHg |
Melting Point: | 85-89 °C |
Purity: | 97 % |
Density: | 1.147 g/cm3 |
MDL: | MFCD02684110 |
LogP: | 2.56110 |
GHS Hazard Statement: | H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112010940-A | Macrocyclic compound for inhibiting PD-1/PD-L1 and application thereof | 20190531 |
CN-111499635-A | Organic electroluminescent material and device | 20190130 |
EP-3690973-A1 | Organic electroluminescent materials and devices | 20190130 |
KR-20200094681-A | Organic electroluminescent materials and devices | 20190130 |
US-2020239456-A1 | Organic electroluminescent materials and devices | 20190130 |
PMID | Publication Date | Title | Journal |
22136905 | 20120101 | PEG-SO(3)H catalyzed synthesis and cytotoxicity of α-aminophosphonates | European journal of medicinal chemistry |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.068413911 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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