2-Bromo-3-hexylthiophene - CAS 69249-61-2
Catalog: |
BB033749 |
Product Name: |
2-Bromo-3-hexylthiophene |
CAS: |
69249-61-2 |
Synonyms: |
2-bromo-3-hexylthiophene |
Application: |
2-Bromo-3-hexylthiophene is majorly used in the formation of π-conjugated conductive polymers (CPs) for the fabrication of organic field effect transistors (OFETs) and organic photovoltaics (OPVs). |
IUPAC Name: | 2-bromo-3-hexylthiophene |
Description: | 2-Bromo-3-hexylthiophene (CAS# 69249-61-2) is majorly used in the formation of π-conjugated conductive polymers (CPs) for the fabrication of organic field effect transistors (OFETs) and organic photovoltaics (OPVs). |
Molecular Weight: | 247.20 |
Molecular Formula: | C10H15BrS |
Canonical SMILES: | CCCCCCC1=C(SC=C1)Br |
InChI: | InChI=1S/C10H15BrS/c1-2-3-4-5-6-9-7-8-12-10(9)11/h7-8H,2-6H2,1H3 |
InChI Key: | XQJNXCHDODCAJF-UHFFFAOYSA-N |
Boiling Point: | 272.653 °C at 760 mmHg |
Flash Point: | > 110 °C(230.0 °F) |
Purity: | > 98.0 % (GC) |
Density: | 1.240 g/cm3 |
MDL: | MFCD09907959 |
LogP: | 4.63340 |
Refractive Index: | 1.529 |
GHS Hazard Statement: | H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110316727-A | The grapheme modified preparation method of two-sided asymmetry | 20190620 |
CN-110316727-B | Preparation method of double-sided asymmetric modified graphene | 20190620 |
CN-110183420-A | A kind of fluorenyl organic photovoltaic material and the preparation method and application thereof | 20190611 |
CN-109888102-A | A kind of day-old chick deep ultraviolet light detector based on organic field effect tube | 20190227 |
US-2020190254-A1 | Solution-processable indenofluorenes and methods to generate solution-processable indenofluorenes | 20181214 |
PMID | Publication Date | Title | Journal |
22539499 | 20120726 | Synthesis of end-capped regioregular poly(3-hexylthiophene)s via direct arylation | Macromolecular rapid communications |
21993960 | 20111101 | Nickel(II) α-diimine catalyst for Grignard metathesis (GRIM) polymerization | Macromolecular rapid communications |
21951292 | 20111026 | Synthesis of well-defined head-to-tail-type oligothiophenes by regioselective deprotonation of 3-substituted thiophenes and nickel-catalyzed cross-coupling reaction | Journal of the American Chemical Society |
20684550 | 20100825 | Palladium-catalyzed dehydrohalogenative polycondensation of 2-bromo-3-hexylthiophene: an efficient approach to head-to-tail poly(3-hexylthiophene) | Journal of the American Chemical Society |
20187972 | 20100227 | A case report of acute dermatitis that developed during an experiment examining the bromination of 3-hexylthiophene | Journal of occupational medicine and toxicology (London, England) |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.00778 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.00778 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.6 |
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