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· · COA & SDS available for every product · Same-day shipping on in-stock items 4,7-Bis(5-bromo-4-dodecyl-2-thienyl)-2,1,3-benzothiadiazole - ≥98% , CAS No.1179993-72-6
Synonyms
4,7-bis(5-bromo-4-dodecyl-2-thienyl)-2,1,3-benzothiadiazole | 4,7-bis(5-bromo-4-dodecylthiophen-2-yl)-2,1,3-benzothiadiazole | 1179993-72-6 | DTXSID80732493 | AS-71901 | AKOS022174788 | D89103 | 4,7-Bis(5-bromo-4-dodecylthiophen-2-yl)benzo[c][1,2,5]thiadi
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
4, 7-bis(5-bromo-4-dodecyl-2-thienyl)-2, 1, 3-benzothiadiazole | 4, 7-bis(5-bromo-4-dodecylthiophen-2-yl)-2, 1, 3-benzothiadiazole | 1179993-72-6 | DTXSID80732493 | AS-71901 | AKOS022174788 | D89103 | 4, 7-Bis(5-bromo-4-dodecylthiophen-2-yl)benzo[c][1, 2, 5]thiadi
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488202004 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488202004 Canonical Smiles CCCCCCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCCCCCC)Br IUPAC Name 4,7-bis(5-bromo-4-dodecylthiophen-2-yl)-2,1,3-benzothiadiazole InChIKey ZFMZIVKXDPTWBS-UHFFFAOYSA-N INCHI 1S/C38H54Br2N2S3/c1-3-5-7-9-11-13-15-17-19-21-23-29-27-33(43-37(29)39)31-25-26-32(36-35(31)41-45-42-36)34-28-30(38(40)44-34)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3 Isomeric SMILES CCCCCCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCCCCCC)Br Molecular Weight 794.85 Reaxy-Rn 21912169 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21912169&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzothiadiazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzothiadiazoles Alternative Parents 2,3,5-trisubstituted thiophenes Benzenoids Aryl bromides Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 2,1,3-benzothiadiazole - 2,3,5-trisubstituted thiophene - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Thiophene - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 794.900 g/mol XLogP3 19.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 24 Exact Mass 794.18 Da Monoisotopic Mass 792.182 Da Topological Polar Surface Area 111.000 Ų Heavy Atom Count 45 Formal Charge 0 Complexity 703.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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