1-Bromo-4-fluoronaphthalene - CAS 341-41-3
Catalog: |
BB021978 |
Product Name: |
1-Bromo-4-fluoronaphthalene |
CAS: |
341-41-3 |
Synonyms: |
1-bromo-4-fluoronaphthalene |
IUPAC Name: | 1-bromo-4-fluoronaphthalene |
Description: | 1-Bromo-4-fluoronaphthalene (CAS# 341-41-3) is the starting material for the synthesis of Fluorobenzo[c]fluoren (F588435) which is a polycyclic aromatic hydrocarbon used in materials science extensively due to utility in organic electronics, light emitting diodes and solar cells. |
Molecular Weight: | 225.06 |
Molecular Formula: | C10H6BrF |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2Br)F |
InChI: | InChI=1S/C10H6BrF/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H |
InChI Key: | VAUJZKBFENPOCH-UHFFFAOYSA-N |
Boiling Point: | 281.4 °C at 760 mmHg |
Melting Point: | 35-38 °C (lit.) |
Purity: | 98 % |
Density: | 1.563 g/cm3 |
Appearance: | White to yellow to tan powder or crystals |
MDL: | MFCD00051473 |
LogP: | 3.74140 |
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 |
Publication Number | Title | Priority Date |
WO-2021043755-A1 | Materials for organic electroluminescent devices | 20190903 |
CN-110294685-A | Aminate and preparation method thereof based on electron rich fluorinated aromatic hydrocarbon | 20190517 |
JP-2020191442-A | Organic electroluminescent device | 20190517 |
KR-20200132733-A | Organic electroluminescent element | 20190517 |
WO-2020209307-A1 | Organic electroluminescent element, electronic device, and compound | 20190408 |
PMID | Publication Date | Title | Journal |
18035588 | 20081001 | Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of 1-bromo 4-fluoronaphthalene | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.96369 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.96369 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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