2,4,4,6-Tetrabromo-2,5-cyclohexadienone - CAS 20244-61-5
Catalog: |
BB015730 |
Product Name: |
2,4,4,6-Tetrabromo-2,5-cyclohexadienone |
CAS: |
20244-61-5 |
Synonyms: |
2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one |
IUPAC Name: | 2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one |
Description: | 2,4,4,6-Tetrabromo-2,5-cyclohexadienone (CAS# 20244-61-5) is a useful research chemical. |
Molecular Weight: | 409.70 |
Molecular Formula: | C6H2Br4O |
Canonical SMILES: | C1=C(C(=O)C(=CC1(Br)Br)Br)Br |
InChI: | InChI=1S/C6H2Br4O/c7-3-1-6(9,10)2-4(8)5(3)11/h1-2H |
InChI Key: | NJQJGRGGIUNVAB-UHFFFAOYSA-N |
Boiling Point: | 365.8 °C at 760 mmHg |
Melting Point: | 120-127 °C |
Purity: | > 97.0 % (T) |
Density: | 2.897 g/cm3 |
Appearance: | Orange to brown fine crystalline powder |
Storage: | 0-6 °C |
MDL: | MFCD00001589 |
LogP: | 3.61280 |
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 |
KR-102246532-B1 | A composition of anti-reflective hardmask | 20201028 |
KR-102252677-B1 | A composition of anti-reflective hardmask | 20200921 |
JP-2020152922-A | Fine particle-containing composition | 20200624 |
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PMID | Publication Date | Title | Journal |
18479104 | 20080611 | Synthesis of (+)-cortistatin A | Journal of the American Chemical Society |
16180856 | 20051003 | Magnetism of cyano-bridged Ln3+-M3+ complexes. Part II: one-dimensional complexes (Ln3+ = Eu, Tb, Dy, Ho, Er, Tm; M3+ = Fe or Co) with bpy as blocking ligand | Inorganic chemistry |
15548002 | 20041124 | Vanadium bromoperoxidase-catalyzed biosynthesis of halogenated marine natural products | Journal of the American Chemical Society |
12116875 | 20020601 | 1,3-Dibromo-5,5-dimethylhydantoin (DBH) as oxidant and precipitant for drug identification according to PH. EUR Analytical methods of pharmacopoeias with DBH in respect of environmental and economical concern, Part 15(1) | Die Pharmazie |
11975533 | 20020503 | A new approach to the reduction of sulfoxides to sulfides with 1,3-dithiane in the presence of electrophilic bromine as catalyst | The Journal of organic chemistry |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 409.67982 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 405.68391 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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