5,5'-Dibromo-2,2'-bithiophene - CAS 4805-22-5
Catalog: |
BB026485 |
Product Name: |
5,5'-Dibromo-2,2'-bithiophene |
CAS: |
4805-22-5 |
Synonyms: |
2-bromo-5-(5-bromothiophen-2-yl)thiophene |
IUPAC Name: | 2-bromo-5-(5-bromothiophen-2-yl)thiophene |
Description: | 5,5'-Dibromo-2,2'-bithiophene (CAS# 4805-22-5) is a useful research chemical. |
Molecular Weight: | 324.06 |
Molecular Formula: | C8H4Br2S2 |
Canonical SMILES: | C1=C(SC(=C1)Br)C2=CC=C(S2)Br |
InChI: | InChI=1S/C8H4Br2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H |
InChI Key: | SXNCMLQAQIGJDO-UHFFFAOYSA-N |
Boiling Point: | 318.6 °C at 760 mmHg |
Melting Point: | 146 °C |
Purity: | > 98.0 % (GC) |
Density: | Light Sensitive,Air Sensitive,Heat Sensitive |
Appearance: | White to light yellow to light orange powder to crystal |
Storage: | Store under inert gas, 0-10 °C |
MDL: | MFCD00219110 |
LogP: | 5.00160 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22966645 | 20120701 | Synthesis and characterization of new donor-acceptor type copolymers based on fluorene derivatives for photovoltaic solar cells | Journal of nanoscience and nanotechnology |
18720991 | 20080918 | Selective monolithiation of dibromobiaryls using microflow systems | Organic letters |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
15099083 | 20040428 | Palladium-catalyzed C-H homocoupling of thiophenes: facile construction of bithiophene structure | Journal of the American Chemical Society |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.81007 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.81212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 56.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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