4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole - 98%, high purity , CAS No.1192352-10-5

Item Number

B290491

Grouped product items
SKU	Size	Availability	Price	Qty
B290491-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$292.90	+-
B290491-1g	1g	1	$1,030.90	+-

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Basic Description

Synonyms	1192352-10-5 \| DTXSID20737200 \| 4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole \| 2,1,3-Benzothiadiazole, 4,7-bis(5-bromo-2-thienyl)-5,6-bis(octyloxy)- \| D89164 \| SCHEMBL2373992 \| 4,7-BIS(5-BROMOTHIOPHEN-2-YL)-5,6-BIS(OCTYLOXY)-2,
Specifications & Purity	≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads

Names and Identifiers

IUPAC Name	4,7-bis(5-bromothiophen-2-yl)-5,6-dioctoxy-2,1,3-benzothiadiazole
INCHI	InChI=1S/C30H38Br2N2O2S3/c1-3-5-7-9-11-13-19-35-29-25(21-15-17-23(31)37-21)27-28(34-39-33-27)26(22-16-18-24(32)38-22)30(29)36-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
InChi Key	QNBPEQCRDXBBCR-UHFFFAOYSA-N
Canonical SMILES	CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)C3=CC=C(S3)Br)C4=CC=C(S4)Br
Isomeric SMILES	CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)C3=CC=C(S3)Br)C4=CC=C(S4)Br
PubChem CID	67384415
Molecular Weight	714.63

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
C2421232	Certificate of Analysis	Feb 20, 2024	B290491
C2421240	Certificate of Analysis	Feb 20, 2024	B290491
C2421241	Certificate of Analysis	Feb 20, 2024	B290491
C2421242	Certificate of Analysis	Feb 20, 2024	B290491

Chemical and Physical Properties

Melt Point(°C)	74 °C
Molecular Weight	714.600 g/mol
XLogP3	13.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	18
Exact Mass	714.044 Da
Monoisotopic Mass	712.046 Da
Topological Polar Surface Area	129.000 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	630.000
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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Basic Description