3,4-Dibromothiophene - CAS 3141-26-2
Catalog: |
BB020912 |
Product Name: |
3,4-Dibromothiophene |
CAS: |
3141-26-2 |
Synonyms: |
Thiophene, 3,4-dibromo-; NSC 99007 |
IUPAC Name: | 3,4-dibromothiophene |
Description: | 3,4-Dibromothiophene (CAS# 3141-26-2) is used in the synthesis of thiophene-estrogen receptor ligands which contain superagonist activities when involving luciferase in genes in human cells giving 2-3 times the activity of estradiol. Also used in the synthesis of supercapacitors for use as charge storage applications. |
Molecular Weight: | 241.93 |
Molecular Formula: | C4H2Br2S |
Canonical SMILES: | C1=C(C(=CS1)Br)Br |
InChI: | InChI=1S/C4H2Br2S/c5-3-1-7-2-4(3)6/h1-2H |
InChI Key: | VGKLVWTVCUDISO-UHFFFAOYSA-N |
Boiling Point: | 221.5°C |
Melting Point: | 4.5°C |
Purity: | ≥95% |
Density: | 2.174±0.06 g/cm3 |
Appearance: | Clear Colorless to Yellow Liquid |
Storage: | Store at RT |
MDL: | MFCD00005465 |
LogP: | 3.27310 |
Vapor Pressure: | 0.12 [mmHg] |
GHS Hazard Statement: | H315 (97.87%): 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 |
CN-113189175-A | Preparation method of molecular imprinting sensor, product obtained by preparation method and application of molecular imprinting sensor | 20210322 |
JP-2021028982-A | Conductive compositions, thermoelectric conversion materials, and thermoelectric conversion elements | 20201104 |
CN-111704621-A | Compound, display panel and display device | 20200624 |
KR-20210106389-A | Polymers based on bi-halogen atoms-substituted heterocyclic compounds, an organic solar cell comprising the same and manufacturing method of the polymers and the solar cell | 20200220 |
KR-20210095587-A | Polycyclic aromatic compound and organoelectroluminescent device using the same | 20200123 |
PMID | Publication Date | Title | Journal |
22220101 | 20111101 | Thieno[3,4-d][1,3]dithiole-2-thione | Acta crystallographica. Section E, Structure reports online |
21950657 | 20111027 | Discovery of 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists | Journal of medicinal chemistry |
21222493 | 20110204 | Synthesis of di-, tri-, and tetrasulfides through multifold carbon-sulfur cross-coupling reactions with indium tri(organothiolates) in a one-pot procedure | The Journal of organic chemistry |
19102528 | 20081221 | Double photoionization of thiophene and bromine-substituted thiophenes | The Journal of chemical physics |
17129105 | 20061121 | Role of rotational temperature in adiabatic molecular alignment | The Journal of chemical physics |
Complexity: | 58.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.82235 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.82440 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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