4,4'-Bis(2-benzoxazolyl)stilbene - CAS 1533-45-5
Catalog: |
BB010882 |
Product Name: |
4,4'-Bis(2-benzoxazolyl)stilbene |
CAS: |
1533-45-5 |
Synonyms: |
2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole |
IUPAC Name: | 2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole |
Description: | 4,4'-Bis(2-benzoxazolyl)stilbene (CAS# 1533-45-5) is a useful research chemical. |
Molecular Weight: | 414.45 |
Molecular Formula: | C28H18N2O2 |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C=CC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5 |
InChI: | InChI=1S/C28H18N2O2/c1-3-7-25-23(5-1)29-27(31-25)21-15-11-19(12-16-21)9-10-20-13-17-22(18-14-20)28-30-24-6-2-4-8-26(24)32-28/h1-18H/b10-9+ |
InChI Key: | ORACIQIJMCYPHQ-MDZDMXLPSA-N |
Boiling Point: | 566.8 °C at 760 mmHg |
Melting Point: | 357-359°C |
Flash Point: | 285.1°C |
Purity: | 98.0% |
Density: | 1.39 g/cm3 (25°C) |
Appearance: | Bright yellow crystalline powder or powder |
Storage: | Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00022846 |
LogP: | 7.47340 |
Refractive Index: | 1.731 |
Stability: | Stable. Incompatible with strong oxidizing agents. |
Vapor Pressure: | 2.79E-12mmHg at 25°C |
GHS Hazard Statement: | H315 (60.27%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112031724-A | Method for observing hydraulic fracturing fracture of coal-bed gas well | 20200731 |
CN-111660642-A | Fire extinguishing bubble film filled with fire extinguishing gas and manufacturing method thereof | 20200629 |
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CN-111443057-A | Method for detecting additives in flour | 20200507 |
WO-2021190968-A1 | Cyclohexanol-capped compounds and their use as plasticizers | 20200325 |
PMID | Publication Date | Title | Journal |
20048416 | 20100101 | (E)-4,4'-Bis(1,3-benzoxazol-2-yl)stilbene at 150 and 375 K | Acta crystallographica. Section C, Crystal structure communications |
16494319 | 20060223 | Dichroic properties of bis(benzoxazolyl)stilbene and bis(benzoxazolyl)thiophene dispersed into oriented polyethylene films: a combined experimental and density functional theory approach | The journal of physical chemistry. B |
12433104 | 20021101 | Development of combinatorial chemistry methods for coatings: high-throughput optimization of curing parameters of coatings libraries | Analytical chemistry |
Complexity: | 583 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 414.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 414.136827821 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.2 |
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