2,8-Dibromodibenzothiophene - CAS 31574-87-5
Catalog: |
BB020979 |
Product Name: |
2,8-Dibromodibenzothiophene |
CAS: |
31574-87-5 |
Synonyms: |
2,8-dibromodibenzothiophene; 2,8-dibromodibenzothiophene |
IUPAC Name: | 2,8-dibromodibenzothiophene |
Description: | 2,8-Dibromodibenzothiophene (CAS# 31574-87-5) is used as a starting material or intermediate for synthesizing novel 2,8-disubstituted dibenzothiophenes via palladium-catalyzed C-N or C-C bond formation. 2,8-Dibromodibenzothiophene is also used as a starting material to create organic electroluminescent derivatives. |
Molecular Weight: | 342.05 |
Molecular Formula: | C12H6Br2S |
Canonical SMILES: | C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Br |
InChI: | InChI=1S/C12H6Br2S/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H |
InChI Key: | WNEXSUAHKVAPFK-UHFFFAOYSA-N |
Boiling Point: | 436.5 °C / 760 mmHg |
Density: | 1.905 g/cm3 |
Storage: | Keep in dark place. Sealed in dry. Room temperature. |
MDL: | MFCD00092755 |
LogP: | 5.57950 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 341.85365 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 339.85570 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.7 |
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