1,4-Dibromonaphthalene - CAS 83-53-4
Catalog: |
BB037048 |
Product Name: |
1,4-Dibromonaphthalene |
CAS: |
83-53-4 |
Synonyms: |
1,4-dibromonaphthalene; 1,4-dibromonaphthalene |
IUPAC Name: | 1,4-dibromonaphthalene |
Description: | 1,4-Dibromonaphthalene (CAS# 83-53-4) is an impurity of Edoxaban(E555520) which is an anticoagulant drug which acts as a direct factor Xa inhibitor. |
Molecular Weight: | 285.96 |
Molecular Formula: | C10H6Br2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2Br)Br |
InChI: | InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H |
InChI Key: | IBGUDZMIAZLJNY-UHFFFAOYSA-N |
Boiling Point: | 334.7 ℃ at 760 mmHg |
Purity: | 99 % |
Density: | 1.8199 (estimate) g/cm3 |
Appearance: | White powder |
MDL: | MFCD00041823 |
LogP: | 4.36480 |
GHS Hazard Statement: | H315 (80%): 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 |
CN-113307764-A | Compound, electron transport material, organic electroluminescent device and display device | 20210508 |
CN-113321649-A | Compound, electron transport material and organic electroluminescent device | 20210423 |
CN-113024831-A | Indium luminescent metal organic framework material for detecting amoxicillin in water and preparation and application thereof | 20210312 |
CN-113004110-A | Synthesis method of 1, 4-dimethylnaphthalene | 20210303 |
CN-112159361-A | Electron transport material, organic electroluminescent device and display device | 20201106 |
PMID | Publication Date | Title | Journal |
21359364 | 20110407 | Highly efficient desymmetrisation of a tricarbonylchromium 1,4-dibromonaphthalene complex by asymmetric Suzuki-Miyaura coupling | Chemical communications (Cambridge, England) |
21583224 | 20090523 | 1,4-Bis(methyl-sulfan-yl)naphthalene | Acta crystallographica. Section E, Structure reports online |
14640637 | 20031203 | Comparison of 'polynaphthalenes' prepared by two mechanistically distinct routes | Journal of the American Chemical Society |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.88158 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.88363 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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