2,5-Dibromo-3-hexylthiophene - CAS 116971-11-0
Catalog: |
BB003825 |
Product Name: |
2,5-Dibromo-3-hexylthiophene |
CAS: |
116971-11-0 |
Synonyms: |
2,5-dibromo-3-hexylthiophene; 2,5-dibromo-3-hexylthiophene |
IUPAC Name: | 2,5-dibromo-3-hexylthiophene |
Description: | 2,5-Dibromo-3-hexylthiophene (CAS# 116971-11-0) is a useful research chemical. |
Molecular Weight: | 326.09 |
Molecular Formula: | C10H14Br2S |
Canonical SMILES: | CCCCCCC1=C(SC(=C1)Br)Br |
InChI: | InChI=1S/C10H14Br2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3 |
InChI Key: | NSYFIAVPXHGRSH-UHFFFAOYSA-N |
Boiling Point: | 317.2 °C at 760 mmHg |
Flash Point: | >113 °C |
Purity: | 98 % |
Density: | 1.521 g/mL at 25 °C |
MDL: | MFCD00274313 |
LogP: | 5.39590 |
Refractive Index: | 1.557 (lit.) |
GHS Hazard Statement: | Not Classified; Reported as not meeting GHS hazard criteria by 37 of 38 companies (only ~ 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website. |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112625160-A | End group functionalized polymer and method for carrying out Glaser coupling polymerization reaction by utilizing copper acetylide | 20201216 |
CN-112552491-A | Porphyrin polymer containing 3-hexylthiophene and synthetic method thereof | 20201215 |
CN-112679532-A | Boron-nitrogen-benzene shunt thiophene derivative, conjugated high-molecular polymer, preparation method of conjugated high-molecular polymer and application of conjugated high-molecular polymer in fluorine ion detection | 20201111 |
CN-112679532-B | Boron-nitrogen-benzene shunt thiophene derivative, conjugated high-molecular polymer, preparation method of conjugated high-molecular polymer and application of conjugated high-molecular polymer in fluorine ion detection | 20201111 |
CN-112159516-A | Preparation and application of hole transport material without doping and annealing | 20200820 |
PMID | Publication Date | Title | Journal |
21993960 | 20111101 | Nickel(II) α-diimine catalyst for Grignard metathesis (GRIM) polymerization | Macromolecular rapid communications |
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) |
21614189 | 20100101 | Poly[(3-hexylthiophene)-block-(3-semifluoroalkylthiophene)] for polymer solar cells | International journal of molecular sciences |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.91625 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.9183 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 28.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.6 |
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